1-[(2R)-azepan-2-yl]propan-2-one

C9H17NO — CID 97048950

IUPAC1-[(2R)-azepan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCCCCN1
InChIInChI=1S/C9H17NO/c1-8(11)7-9-5-3-2-4-6-10-9/h9-10H,2-7H2,1H3/t9-/m1/s1
InChIKeyBCQWQXUOUYLQGC-SECBINFHSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds2

About 1-[(2R)-azepan-2-yl]propan-2-one

1-[(2R)-azepan-2-yl]propan-2-one (PubChem CID 97048950) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2R)-azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R)-azepan-2-yl]propan-2-one
PubChem CID97048950
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2R)-azepan-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCCCCN1
InChIInChI=1S/C9H17NO/c1-8(11)7-9-5-3-2-4-6-10-9/h9-10H,2-7H2,1H3/t9-/m1/s1
InChIKeyBCQWQXUOUYLQGC-SECBINFHSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-2-ylpropan-2-one
CID 45085262
2-[(2R)-azepan-2-yl]acetic acid
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CID 130491231
1-(azetidin-2-yl)propan-2-one
CID 91315786
methyl 2-(azocan-2-yl)acetate
CID 86040521
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
1-piperidin-2-ylbut-3-yn-2-one
CID 165465435
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(3,5-dimethylcyclohexyl)-2-piperidin-2-ylacetamide
CID 64734481

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-azepan-2-yl]propan-2-one?
The IUPAC name of 1-[(2R)-azepan-2-yl]propan-2-one (CID 97048950) is 1-[(2R)-azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R)-azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R)-azepan-2-yl]propan-2-one is CC(=O)C[C@H]1CCCCCN1.
What is the InChIKey of 1-[(2R)-azepan-2-yl]propan-2-one?
The InChIKey is BCQWQXUOUYLQGC-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)7-9-5-3-2-4-6-10-9/h9-10H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-azepan-2-yl]propan-2-one?
1-[(2R)-azepan-2-yl]propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-azepan-2-yl]propan-2-one is sourced from PubChem (CID 97048950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).