(Z)-5-(methylamino)hept-2-en-4-one

C8H15NO — CID 123783043

IUPAC(Z)-5-(methylamino)hept-2-en-4-one
SMILESC/C=C\C(=O)C(CC)NC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)7(5-2)9-3/h4,6-7,9H,5H2,1-3H3/b6-4-
InChIKeyRPICXSBKVKNGIJ-XQRVVYSFSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds4

About (Z)-5-(methylamino)hept-2-en-4-one

(Z)-5-(methylamino)hept-2-en-4-one (PubChem CID 123783043) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-5-(methylamino)hept-2-en-4-one.

Molecular Properties

Compound Name(Z)-5-(methylamino)hept-2-en-4-one
PubChem CID123783043
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-5-(methylamino)hept-2-en-4-one
SMILESC/C=C\C(=O)C(CC)NC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)7(5-2)9-3/h4,6-7,9H,5H2,1-3H3/b6-4-
InChIKeyRPICXSBKVKNGIJ-XQRVVYSFSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
amino 2-(methylamino)butanoate
CID 89108976
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
(E)-5-ethylpentadec-2-en-4-one
CID 11687471
trimethyl 4-oxohept-5-en-3-yl silicate
CID 141474259
(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
CID 170144451
(5S)-5-(methylamino)-7-methylsulfanyl-4-oxohept-2-enoic acid
CID 87501078
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(methylamino)hept-2-en-4-one?
The IUPAC name of (Z)-5-(methylamino)hept-2-en-4-one (CID 123783043) is (Z)-5-(methylamino)hept-2-en-4-one.
What is the SMILES notation for (Z)-5-(methylamino)hept-2-en-4-one?
The canonical SMILES for (Z)-5-(methylamino)hept-2-en-4-one is C/C=C\C(=O)C(CC)NC.
What is the InChIKey of (Z)-5-(methylamino)hept-2-en-4-one?
The InChIKey is RPICXSBKVKNGIJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(10)7(5-2)9-3/h4,6-7,9H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-5-(methylamino)hept-2-en-4-one?
(Z)-5-(methylamino)hept-2-en-4-one has a molecular weight of 141.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(methylamino)hept-2-en-4-one is sourced from PubChem (CID 123783043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).