N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide

C10H15NO — CID 171556430

IUPACN,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
SMILESC=C(C)C(=C)N(C)C(=O)C(=C)C
InChIInChI=1S/C10H15NO/c1-7(2)9(5)11(6)10(12)8(3)4/h1,3,5H2,2,4,6H3
InChIKeyQIBZMQJBSSNYFV-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds3

About N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide

N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide (PubChem CID 171556430) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
PubChem CID171556430
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
SMILESC=C(C)C(=C)N(C)C(=O)C(=C)C
InChIInChI=1S/C10H15NO/c1-7(2)9(5)11(6)10(12)8(3)4/h1,3,5H2,2,4,6H3
InChIKeyQIBZMQJBSSNYFV-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
2-methylprop-2-enoyl-λ2-stannane
CID 174381448
N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 144598404
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
CID 153499824
CID 58819112
CID 58819112
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87205211
3-[but-2-en-2-yl(methyl)amino]but-3-en-2-one
CID 123247186

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide (CID 171556430) is N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide is C=C(C)C(=C)N(C)C(=O)C(=C)C.
What is the InChIKey of N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The InChIKey is QIBZMQJBSSNYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)9(5)11(6)10(12)8(3)4/h1,3,5H2,2,4,6H3.
What are the key properties of N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide has a molecular weight of 165.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide is sourced from PubChem (CID 171556430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).