2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide

C12H22N2O2 — CID 115758597

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H22N2O2/c1-3-8-13-11(15)9-14(2)10-12(16)6-4-5-7-12/h3,16H,1,4-10H2,2H3,(H,13,15)
InChIKeyOEWOZUZBUACRNM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds6

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide

2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide (PubChem CID 115758597) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
PubChem CID115758597
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H22N2O2/c1-3-8-13-11(15)9-14(2)10-12(16)6-4-5-7-12/h3,16H,1,4-10H2,2H3,(H,13,15)
InChIKeyOEWOZUZBUACRNM-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948014
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
1-[[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]methyl]cyclopentan-1-ol
CID 103071409
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 114952822
N-cyclohexyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 115749267
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-prop-2-enylacetamide
CID 115638332
1-[2-oxo-2-(prop-2-enylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529261

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide (CID 115758597) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide?
The InChIKey is OEWOZUZBUACRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-8-13-11(15)9-14(2)10-12(16)6-4-5-7-12/h3,16H,1,4-10H2,2H3,(H,13,15).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide?
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115758597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).