(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one

C14H17NO — CID 144700252

IUPAC(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one
SMILESC=C(C)/C(C(C)=O)=C(/NC)c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)13(11(3)16)14(15-4)12-8-6-5-7-9-12/h5-9,15H,1H2,2-4H3/b14-13-
InChIKeyIWQPGZRVXDQCID-YPKPFQOOSA-N
MW215.30 g/mol
LogP2.78
Rot. Bonds4

About (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one

(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one (PubChem CID 144700252) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one
PubChem CID144700252
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one
SMILESC=C(C)/C(C(C)=O)=C(/NC)c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)13(11(3)16)14(15-4)12-8-6-5-7-9-12/h5-9,15H,1H2,2-4H3/b14-13-
InChIKeyIWQPGZRVXDQCID-YPKPFQOOSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
(3Z)-3-[methylamino(phenyl)methylidene]hexan-2-one
CID 144700253
N-methylbenzamide
CID 11954
2-methylidene-1-phenylbutane-1,3-dione
CID 11344281
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
CID 130352471
acetic acid;diphenylmethanone;hydrate
CID 161284686
N-methylbenzamide;molecular hydrogen
CID 142972595
lithium;hydride;N-methylbenzamide
CID 173287348
ethane;methane;3-methylbut-3-en-2-one;1-phenylpropan-1-one
CID 161480894

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one?
The IUPAC name of (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one (CID 144700252) is (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one?
The canonical SMILES for (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one is C=C(C)/C(C(C)=O)=C(/NC)c1ccccc1.
What is the InChIKey of (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one?
The InChIKey is IWQPGZRVXDQCID-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)13(11(3)16)14(15-4)12-8-6-5-7-9-12/h5-9,15H,1H2,2-4H3/b14-13-.
What are the key properties of (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one?
(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one is sourced from PubChem (CID 144700252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).