N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide

C9H15NO2 — CID 166414598

IUPACN-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-7-4-3-5-8(7)11/h2,7-8,11H,1,3-6H2,(H,10,12)/t7-,8+/m1/s1
InChIKeyGTALRHRSULXOMD-SFYZADRCSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds3

About N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide

N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide (PubChem CID 166414598) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
PubChem CID166414598
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-7-4-3-5-8(7)11/h2,7-8,11H,1,3-6H2,(H,10,12)/t7-,8+/m1/s1
InChIKeyGTALRHRSULXOMD-SFYZADRCSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxycyclopentyl)methylamino]-4-oxobut-2-enoic acid
CID 77125132
N-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]prop-2-enamide
CID 166415844
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125042
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide
CID 154881209
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide?
The IUPAC name of N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide (CID 166414598) is N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide is C=CC(=O)NC[C@H]1CCC[C@@H]1O.
What is the InChIKey of N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide?
The InChIKey is GTALRHRSULXOMD-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(12)10-6-7-4-3-5-8(7)11/h2,7-8,11H,1,3-6H2,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide?
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide is sourced from PubChem (CID 166414598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).