2H-azepin-6-ylmethanol

C7H9NO — CID 143713152

IUPAC2H-azepin-6-ylmethanol
SMILESOCC1=CC=CCN=C1
InChIInChI=1S/C7H9NO/c9-6-7-3-1-2-4-8-5-7/h1-3,5,9H,4,6H2
InChIKeyBPDXBHOTJNCZMA-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.55
Rot. Bonds1

About 2H-azepin-6-ylmethanol

2H-azepin-6-ylmethanol (PubChem CID 143713152) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2H-azepin-6-ylmethanol.

Molecular Properties

Compound Name2H-azepin-6-ylmethanol
PubChem CID143713152
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2H-azepin-6-ylmethanol
SMILESOCC1=CC=CCN=C1
InChIInChI=1S/C7H9NO/c9-6-7-3-1-2-4-8-5-7/h1-3,5,9H,4,6H2
InChIKeyBPDXBHOTJNCZMA-UHFFFAOYSA-N
XLogP0.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(methyliminomethyl)but-2-en-1-ol
CID 89088085
2H-azepin-2-ol
CID 140986454
(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
CID 144880651
ethane;(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
CID 144983909
2H-pyrrol-4-ylmethanol
CID 154287771
Azocin-3-ylmethanol
CID 163520505

Frequently Asked Questions

What is the IUPAC name of 2H-azepin-6-ylmethanol?
The IUPAC name of 2H-azepin-6-ylmethanol (CID 143713152) is 2H-azepin-6-ylmethanol.
What is the SMILES notation for 2H-azepin-6-ylmethanol?
The canonical SMILES for 2H-azepin-6-ylmethanol is OCC1=CC=CCN=C1.
What is the InChIKey of 2H-azepin-6-ylmethanol?
The InChIKey is BPDXBHOTJNCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-6-7-3-1-2-4-8-5-7/h1-3,5,9H,4,6H2.
What are the key properties of 2H-azepin-6-ylmethanol?
2H-azepin-6-ylmethanol has a molecular weight of 123.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-azepin-6-ylmethanol is sourced from PubChem (CID 143713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).