cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone

C23H26N2O — CID 70633013

IUPACcyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone
SMILESO=C(C1CC1)C1CCC2C3=CNCC=C3N3C2=C1CC=C1C=CCCC13
InChIInChI=1S/C23H26N2O/c26-23(15-5-6-15)18-10-9-17-19-13-24-12-11-21(19)25-20-4-2-1-3-14(20)7-8-16(18)22(17)25/h1,3,7,11,13,15,17-18,20,24H,2,4-6,8-10,12H2
InChIKeyZWPAVKNWCHAJON-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.98
Rot. Bonds2

About cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone

cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone (PubChem CID 70633013) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone
PubChem CID70633013
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Namecyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone
SMILESO=C(C1CC1)C1CCC2C3=CNCC=C3N3C2=C1CC=C1C=CCCC13
InChIInChI=1S/C23H26N2O/c26-23(15-5-6-15)18-10-9-17-19-13-24-12-11-21(19)25-20-4-2-1-3-14(20)7-8-16(18)22(17)25/h1,3,7,11,13,15,17-18,20,24H,2,4-6,8-10,12H2
InChIKeyZWPAVKNWCHAJON-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone?
The IUPAC name of cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone (CID 70633013) is cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone.
What is the SMILES notation for cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone?
The canonical SMILES for cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone is O=C(C1CC1)C1CCC2C3=CNCC=C3N3C2=C1CC=C1C=CCCC13.
What is the InChIKey of cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone?
The InChIKey is ZWPAVKNWCHAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(15-5-6-15)18-10-9-17-19-13-24-12-11-21(19)25-20-4-2-1-3-14(20)7-8-16(18)22(17)25/h1,3,7,11,13,15,17-18,20,24H,2,4-6,8-10,12H2.
What are the key properties of cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone?
cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaen-11-yl)methanone is sourced from PubChem (CID 70633013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).