1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one

C14H23NO — CID 162119305

IUPAC1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one
SMILESC=C(C1CC1)[C@@H](CC)N(C)CC(=O)C=CC
InChIInChI=1S/C14H23NO/c1-5-7-13(16)10-15(4)14(6-2)11(3)12-8-9-12/h5,7,12,14H,3,6,8-10H2,1-2,4H3/t14-/m1/s1
InChIKeyZHESKHZPGRQVRQ-CQSZACIVSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds7

About 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one

1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one (PubChem CID 162119305) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one.

Molecular Properties

Compound Name1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one
PubChem CID162119305
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one
SMILESC=C(C1CC1)[C@@H](CC)N(C)CC(=O)C=CC
InChIInChI=1S/C14H23NO/c1-5-7-13(16)10-15(4)14(6-2)11(3)12-8-9-12/h5,7,12,14H,3,6,8-10H2,1-2,4H3/t14-/m1/s1
InChIKeyZHESKHZPGRQVRQ-CQSZACIVSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-propan-2-ylpiperidin-1-yl)hept-5-ene-1,4-dione
CID 71008673
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
CID 64661878
(2S)-2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
CID 76956972
(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine
CID 155733417
hex-4-en-3-one;methane;pentan-3-one
CID 160932179
oct-6-ene-3,5-dione
CID 54438744
7-(dimethylamino)hept-2-en-4-one
CID 173414808
hexa-2,4-dienal;hex-4-en-3-one
CID 173273748
3-[butan-2-yl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745676
1-[butan-2-yl(methyl)amino]butan-2-one
CID 62039500
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one?
The IUPAC name of 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one (CID 162119305) is 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one.
What is the SMILES notation for 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one?
The canonical SMILES for 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one is C=C(C1CC1)[C@@H](CC)N(C)CC(=O)C=CC.
What is the InChIKey of 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one?
The InChIKey is ZHESKHZPGRQVRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-13(16)10-15(4)14(6-2)11(3)12-8-9-12/h5,7,12,14H,3,6,8-10H2,1-2,4H3/t14-/m1/s1.
What are the key properties of 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one?
1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2-cyclopropylpent-1-en-3-yl]-methylamino]pent-3-en-2-one is sourced from PubChem (CID 162119305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).