12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one

C19H11NO2 — CID 177426300

IUPAC12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one
SMILESO=c1oc2ccc3ccccc3c2c2cc3ccccc3n12
InChIInChI=1S/C19H11NO2/c21-19-20-15-8-4-2-6-13(15)11-16(20)18-14-7-3-1-5-12(14)9-10-17(18)22-19/h1-11H
InChIKeyNYWIRPLQSHGQCH-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.35
Rot. Bonds

About 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one

12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one (PubChem CID 177426300) has the molecular formula C19H11NO2 and a molecular weight of 285.30 g/mol. Its IUPAC name is 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one.

Molecular Properties

Compound Name12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one
PubChem CID177426300
Molecular FormulaC19H11NO2
Molecular Weight285.30 g/mol
Exact Mass285.08
IUPAC Name12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one
SMILESO=c1oc2ccc3ccccc3c2c2cc3ccccc3n12
InChIInChI=1S/C19H11NO2/c21-19-20-15-8-4-2-6-13(15)11-16(20)18-14-7-3-1-5-12(14)9-10-17(18)22-19/h1-11H
InChIKeyNYWIRPLQSHGQCH-UHFFFAOYSA-N
XLogP4.35
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
CID 139436322
indolo[2,1-b][1,3]benzoxazin-12-one
CID 56963988
13,14-diisocyano-10-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene
CID 140955971
10-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-13,14-dicarbonitrile
CID 139436416
11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene
CID 139436379
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
2-methylbenzo[e][1,2]benzoxazol-1-one
CID 11412966
9-fluorobenzo[a]xanthen-12-one
CID 135193713
13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-2-thione
CID 12588753
10-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-13,14,15-tricarbonitrile
CID 139435959
20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one
CID 132552377
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847

Frequently Asked Questions

What is the IUPAC name of 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one?
The IUPAC name of 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one (CID 177426300) is 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one.
What is the SMILES notation for 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one?
The canonical SMILES for 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one is O=c1oc2ccc3ccccc3c2c2cc3ccccc3n12.
What is the InChIKey of 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one?
The InChIKey is NYWIRPLQSHGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO2/c21-19-20-15-8-4-2-6-13(15)11-16(20)18-14-7-3-1-5-12(14)9-10-17(18)22-19/h1-11H.
What are the key properties of 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one?
12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one has a molecular weight of 285.30 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxa-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-11-one is sourced from PubChem (CID 177426300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).