1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol

C19H13NO — CID 102339718

IUPAC1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol
SMILESOC1c2ccccc2-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C19H13NO/c21-19-16-8-2-1-6-12(16)14-9-5-10-15-13-7-3-4-11-17(13)20(19)18(14)15/h1-11,19,21H
InChIKeyDVUKMHUDALQVIU-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.31
Rot. Bonds

About 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol

1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol (PubChem CID 102339718) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol.

Molecular Properties

Compound Name1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol
PubChem CID102339718
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol
SMILESOC1c2ccccc2-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C19H13NO/c21-19-16-8-2-1-6-12(16)14-9-5-10-15-13-7-3-4-11-17(13)20(19)18(14)15/h1-11,19,21H
InChIKeyDVUKMHUDALQVIU-UHFFFAOYSA-N
XLogP4.31
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol?
The IUPAC name of 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol (CID 102339718) is 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol.
What is the SMILES notation for 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol?
The canonical SMILES for 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol is OC1c2ccccc2-c2cccc3c4ccccc4n1c23.
What is the InChIKey of 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol?
The InChIKey is DVUKMHUDALQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c21-19-16-8-2-1-6-12(16)14-9-5-10-15-13-7-3-4-11-17(13)20(19)18(14)15/h1-11,19,21H.
What are the key properties of 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol?
1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol has a molecular weight of 271.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-ol is sourced from PubChem (CID 102339718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).