N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide

C16H17NO2 — CID 11086330

IUPACN-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1=CCCCC1=O
InChIInChI=1S/C16H17NO2/c1-2-16(19)17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h2-5,8-10H,1,6-7,11-12H2
InChIKeyOWCYRMPOOBYICH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide

N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide (PubChem CID 11086330) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide
PubChem CID11086330
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1=CCCCC1=O
InChIInChI=1S/C16H17NO2/c1-2-16(19)17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h2-5,8-10H,1,6-7,11-12H2
InChIKeyOWCYRMPOOBYICH-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
CID 100995756
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
N-benzyl-N-(4-octylphenyl)prop-2-enamide
CID 156703845
benzyl(ethenyl)carbamic acid
CID 22377754
2-chloro-N-(6-oxocyclohexen-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 23238867
N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
CID 146095242
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide
CID 135038482
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide (CID 11086330) is N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide is C=CC(=O)N(Cc1ccccc1)C1=CCCCC1=O.
What is the InChIKey of N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide?
The InChIKey is OWCYRMPOOBYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-16(19)17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h2-5,8-10H,1,6-7,11-12H2.
What are the key properties of N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide?
N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide is sourced from PubChem (CID 11086330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).