N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide

C12H19NO2 — CID 10656018

IUPACN-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
SMILESC=CCCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C12H19NO2/c1-3-4-9-13(2)12(15)10-7-5-6-8-11(10)14/h3,10H,1,4-9H2,2H3
InChIKeyUQVDYRITRDJKTP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds4

About N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide

N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide (PubChem CID 10656018) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
PubChem CID10656018
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
SMILESC=CCCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C12H19NO2/c1-3-4-9-13(2)12(15)10-7-5-6-8-11(10)14/h3,10H,1,4-9H2,2H3
InChIKeyUQVDYRITRDJKTP-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
CID 10037813
(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
CID 162898578
N-ethyl-4,4-dimethyl-2,6-dioxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 6501549
N,N-diallyl-2-oxocyclohexane-carboxamide
CID 11042284
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide
CID 46933723
N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
CID 101439008
2-acetyl-N,N-diethyl-2-methylhex-5-enamide
CID 164665712
N-but-3-enyl-N,4,4-trimethyl-2-oxocyclopentane-1-carboxamide
CID 10513285
N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 11095533
N-acetyl-N-pent-3-enylcyclohexanecarboxamide
CID 53856006

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide?
The IUPAC name of N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide (CID 10656018) is N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide is C=CCCN(C)C(=O)C1CCCCC1=O.
What is the InChIKey of N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide?
The InChIKey is UQVDYRITRDJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-9-13(2)12(15)10-7-5-6-8-11(10)14/h3,10H,1,4-9H2,2H3.
What are the key properties of N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide?
N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 10656018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).