CID 101242759

C15H14NO2 — CID 101242759

IUPAC—
SMILES[O]C1=C=Cc2cc3c4c(c2O1)CCCN4CCC3
InChIInChI=1S/C15H14NO2/c17-13-6-5-11-9-10-3-1-7-16-8-2-4-12(14(10)16)15(11)18-13/h5,9H,1-4,7-8H2
InChIKeyHLXBGEKWIKWQKC-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.66
Rot. Bonds

About CID 101242759

CID 101242759 (PubChem CID 101242759) has the molecular formula C15H14NO2 and a molecular weight of 240.28 g/mol.

Molecular Properties

Compound NameCID 101242759
PubChem CID101242759
Molecular FormulaC15H14NO2
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name—
SMILES[O]C1=C=Cc2cc3c4c(c2O1)CCCN4CCC3
InChIInChI=1S/C15H14NO2/c17-13-6-5-11-9-10-3-1-7-16-8-2-4-12(14(10)16)15(11)18-13/h5,9H,1-4,7-8H2
InChIKeyHLXBGEKWIKWQKC-UHFFFAOYSA-N
XLogP2.66
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene
CID 143192387
5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol
CID 143192386
5-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8-trien-4-one
CID 123448751
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8-trien-4-one
CID 175647655
2'-aminospiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,3'-isoindole]-1'-one
CID 162692221
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylic acid
CID 116993414
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146667407
2'-prop-2-enylspiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,3'-isoindole]-1'-one
CID 144605931
1-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-2,2-dimethylpropan-1-one
CID 169026628
3-amino-3-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)propanoic acid
CID 170872566
(3'-oxospiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,1'-isoindole]-2'-yl)urea
CID 78426148
16-propan-2-yl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
CID 123260412

Frequently Asked Questions

What is the IUPAC name of CID 101242759?
The IUPAC name of CID 101242759 (CID 101242759) is not available.
What is the SMILES notation for CID 101242759?
The canonical SMILES for CID 101242759 is [O]C1=C=Cc2cc3c4c(c2O1)CCCN4CCC3.
What is the InChIKey of CID 101242759?
The InChIKey is HLXBGEKWIKWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO2/c17-13-6-5-11-9-10-3-1-7-16-8-2-4-12(14(10)16)15(11)18-13/h5,9H,1-4,7-8H2.
What are the key properties of CID 101242759?
CID 101242759 has a molecular weight of 240.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101242759 is sourced from PubChem (CID 101242759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).