1-(1H-azepin-3-yl)propan-1-ol

C9H13NO — CID 175909097

IUPAC1-(1H-azepin-3-yl)propan-1-ol
SMILESCCC(O)C1=CNC=CC=C1
InChIInChI=1S/C9H13NO/c1-2-9(11)8-5-3-4-6-10-7-8/h3-7,9-11H,2H2,1H3
InChIKeySNTUOLYQIHORLM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.31
Rot. Bonds2

About 1-(1H-azepin-3-yl)propan-1-ol

1-(1H-azepin-3-yl)propan-1-ol (PubChem CID 175909097) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1H-azepin-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1H-azepin-3-yl)propan-1-ol
PubChem CID175909097
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1H-azepin-3-yl)propan-1-ol
SMILESCCC(O)C1=CNC=CC=C1
InChIInChI=1S/C9H13NO/c1-2-9(11)8-5-3-4-6-10-7-8/h3-7,9-11H,2H2,1H3
InChIKeySNTUOLYQIHORLM-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-azepin-3-yl)propan-1-ol?
The IUPAC name of 1-(1H-azepin-3-yl)propan-1-ol (CID 175909097) is 1-(1H-azepin-3-yl)propan-1-ol.
What is the SMILES notation for 1-(1H-azepin-3-yl)propan-1-ol?
The canonical SMILES for 1-(1H-azepin-3-yl)propan-1-ol is CCC(O)C1=CNC=CC=C1.
What is the InChIKey of 1-(1H-azepin-3-yl)propan-1-ol?
The InChIKey is SNTUOLYQIHORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9(11)8-5-3-4-6-10-7-8/h3-7,9-11H,2H2,1H3.
What are the key properties of 1-(1H-azepin-3-yl)propan-1-ol?
1-(1H-azepin-3-yl)propan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-azepin-3-yl)propan-1-ol is sourced from PubChem (CID 175909097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).