(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one

C14H24O — CID 59143625

IUPAC(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
SMILESC/C=C/CC(CC1CC1)C(=O)CC(C)C
InChIInChI=1S/C14H24O/c1-4-5-6-13(10-12-7-8-12)14(15)9-11(2)3/h4-5,11-13H,6-10H2,1-3H3/b5-4+
InChIKeyRJLFLWVDYANIGS-SNAWJCMRSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds7

About (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one

(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one (PubChem CID 59143625) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one.

Molecular Properties

Compound Name(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
PubChem CID59143625
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
SMILESC/C=C/CC(CC1CC1)C(=O)CC(C)C
InChIInChI=1S/C14H24O/c1-4-5-6-13(10-12-7-8-12)14(15)9-11(2)3/h4-5,11-13H,6-10H2,1-3H3/b5-4+
InChIKeyRJLFLWVDYANIGS-SNAWJCMRSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-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

5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
4-methyloct-6-en-3-one
CID 73301984
4-methyloct-6-en-2-one
CID 54170853
(E,2R)-2-ethylhex-4-enoic acid
CID 11579146
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
(E)-2-(3-cyclopropylpropanoylamino)hex-4-enoic acid
CID 120693780
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577

Frequently Asked Questions

What is the IUPAC name of (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one?
The IUPAC name of (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one (CID 59143625) is (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one.
What is the SMILES notation for (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one?
The canonical SMILES for (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one is C/C=C/CC(CC1CC1)C(=O)CC(C)C.
What is the InChIKey of (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one?
The InChIKey is RJLFLWVDYANIGS-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-6-13(10-12-7-8-12)14(15)9-11(2)3/h4-5,11-13H,6-10H2,1-3H3/b5-4+.
What are the key properties of (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one?
(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one has a molecular weight of 208.34 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one is sourced from PubChem (CID 59143625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).