N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide

C12H18N2O2 — CID 22855274

IUPACN-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C=C
InChIInChI=1S/C12H18N2O2/c1-3-11(15)13-9-7-5-6-8-10(9)14-12(16)4-2/h3-4,9-10H,1-2,5-8H2,(H,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyQVKYBBRAIXBKAX-UWVGGRQHSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds4

About N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide

N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide (PubChem CID 22855274) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
PubChem CID22855274
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C=C
InChIInChI=1S/C12H18N2O2/c1-3-11(15)13-9-7-5-6-8-10(9)14-12(16)4-2/h3-4,9-10H,1-2,5-8H2,(H,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyQVKYBBRAIXBKAX-UWVGGRQHSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
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

Acrylamide, N-cyclohexyl-
CID 137811
1,6-Hexamethylenebisacrylamide
CID 250559
N-(2-acryloylamino-(1r,2r)-cyclohexyl)-acrylamine
CID 54249047
(2E)-N1,N4-Dicyclohexyl-2-butenediamide
CID 11708919
N-(6-aminohexyl)prop-2-enamide
CID 1901365
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N,N'-Pentamethylenebis-2-propenamide
CID 19973757
N-(Hexan-2-YL)prop-2-enamide
CID 20510138
(E)-N-cyclohexyl-3-fluoroprop-2-enamide
CID 156280297
N-(3-Fluorocyclohexyl)prop-2-enamide
CID 132396299
N-{[(3,3-difluorocyclohexyl)carbamoyl]methyl}-N-methylprop-2-enamide
CID 145907824
N-{[(4,4-difluorocyclohexyl)carbamoyl]methyl}-N-ethylprop-2-enamide
CID 145908975

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide (CID 22855274) is N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide is C=CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C=C.
What is the InChIKey of N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The InChIKey is QVKYBBRAIXBKAX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-11(15)13-9-7-5-6-8-10(9)14-12(16)4-2/h3-4,9-10H,1-2,5-8H2,(H,13,15)(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide has a molecular weight of 222.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 22855274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).