(Z)-5-(methylamino)hept-4-en-3-one

C8H15NO — CID 55298779

IUPAC(Z)-5-(methylamino)hept-4-en-3-one
SMILESCCC(=O)/C=C(/CC)NC
InChIInChI=1S/C8H15NO/c1-4-7(9-3)6-8(10)5-2/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyOBLQQEVGHFHGMC-SREVYHEPSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

About (Z)-5-(methylamino)hept-4-en-3-one

(Z)-5-(methylamino)hept-4-en-3-one (PubChem CID 55298779) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-5-(methylamino)hept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-(methylamino)hept-4-en-3-one
PubChem CID55298779
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-5-(methylamino)hept-4-en-3-one
SMILESCCC(=O)/C=C(/CC)NC
InChIInChI=1S/C8H15NO/c1-4-7(9-3)6-8(10)5-2/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyOBLQQEVGHFHGMC-SREVYHEPSA-N
XLogP1.48
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 ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(methylamino)hept-4-en-3-one?
The IUPAC name of (Z)-5-(methylamino)hept-4-en-3-one (CID 55298779) is (Z)-5-(methylamino)hept-4-en-3-one.
What is the SMILES notation for (Z)-5-(methylamino)hept-4-en-3-one?
The canonical SMILES for (Z)-5-(methylamino)hept-4-en-3-one is CCC(=O)/C=C(/CC)NC.
What is the InChIKey of (Z)-5-(methylamino)hept-4-en-3-one?
The InChIKey is OBLQQEVGHFHGMC-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(9-3)6-8(10)5-2/h6,9H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-5-(methylamino)hept-4-en-3-one?
(Z)-5-(methylamino)hept-4-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.48, 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-4-en-3-one is sourced from PubChem (CID 55298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).