2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide

C12H19NO — CID 102343479

IUPAC2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
SMILESC=C(C(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C12H19NO/c1-9(2)13-12(14)10(3)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyBYRGUDHIVIFGKP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide

2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 102343479) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
PubChem CID102343479
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
SMILESC=C(C(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C12H19NO/c1-9(2)13-12(14)10(3)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyBYRGUDHIVIFGKP-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
CID 102343482
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
2-(cyclopenten-1-yl)prop-2-enoic acid
CID 15807267
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
methyl cyclododecene-1-carboxylate
CID 54564642
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
N-propan-2-ylcyclobutene-1-carboxamide
CID 126994401
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide (CID 102343479) is 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide is C=C(C(=O)NC(C)C)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is BYRGUDHIVIFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)13-12(14)10(3)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide?
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 102343479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).