(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one

C15H19NO — CID 102273687

IUPAC(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one
SMILESCC(=O)/C(=C(/C)NCC1CC1)c1ccccc1
InChIInChI=1S/C15H19NO/c1-11(16-10-13-8-9-13)15(12(2)17)14-6-4-3-5-7-14/h3-7,13,16H,8-10H2,1-2H3/b15-11+
InChIKeyNROIOPMBHFAJBO-RVDMUPIBSA-N
MW229.32 g/mol
LogP3.01
Rot. Bonds5

About (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one

(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one (PubChem CID 102273687) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one
PubChem CID102273687
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one
SMILESCC(=O)/C(=C(/C)NCC1CC1)c1ccccc1
InChIInChI=1S/C15H19NO/c1-11(16-10-13-8-9-13)15(12(2)17)14-6-4-3-5-7-14/h3-7,13,16H,8-10H2,1-2H3/b15-11+
InChIKeyNROIOPMBHFAJBO-RVDMUPIBSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.01
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)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one?
The IUPAC name of (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one (CID 102273687) is (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one?
The canonical SMILES for (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one is CC(=O)/C(=C(/C)NCC1CC1)c1ccccc1.
What is the InChIKey of (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one?
The InChIKey is NROIOPMBHFAJBO-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(16-10-13-8-9-13)15(12(2)17)14-6-4-3-5-7-14/h3-7,13,16H,8-10H2,1-2H3/b15-11+.
What are the key properties of (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one?
(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one is sourced from PubChem (CID 102273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).