N-[(1S,2S)-2-hydroxycycloheptyl]acetamide

C9H17NO2 — CID 101001127

IUPACN-[(1S,2S)-2-hydroxycycloheptyl]acetamide
SMILESCC(=O)N[C@H]1CCCCC[C@@H]1O
InChIInChI=1S/C9H17NO2/c1-7(11)10-8-5-3-2-4-6-9(8)12/h8-9,12H,2-6H2,1H3,(H,10,11)/t8-,9-/m0/s1
InChIKeyWHRMGZGGPOLVIE-IUCAKERBSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds1

About N-[(1S,2S)-2-hydroxycycloheptyl]acetamide

N-[(1S,2S)-2-hydroxycycloheptyl]acetamide (PubChem CID 101001127) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycycloheptyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycycloheptyl]acetamide
PubChem CID101001127
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(1S,2S)-2-hydroxycycloheptyl]acetamide
SMILESCC(=O)N[C@H]1CCCCC[C@@H]1O
InChIInChI=1S/C9H17NO2/c1-7(11)10-8-5-3-2-4-6-9(8)12/h8-9,12H,2-6H2,1H3,(H,10,11)/t8-,9-/m0/s1
InChIKeyWHRMGZGGPOLVIE-IUCAKERBSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycycloheptyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycycloheptyl]acetamide (CID 101001127) is N-[(1S,2S)-2-hydroxycycloheptyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycycloheptyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycycloheptyl]acetamide is CC(=O)N[C@H]1CCCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycycloheptyl]acetamide?
The InChIKey is WHRMGZGGPOLVIE-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10-8-5-3-2-4-6-9(8)12/h8-9,12H,2-6H2,1H3,(H,10,11)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycycloheptyl]acetamide?
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycycloheptyl]acetamide is sourced from PubChem (CID 101001127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).