2-methylidene-4-prop-1-en-2-yl-3-propylazetidine

C10H17N — CID 126555441

IUPAC2-methylidene-4-prop-1-en-2-yl-3-propylazetidine
SMILESC=C1NC(C(=C)C)C1CCC
InChIInChI=1S/C10H17N/c1-5-6-9-8(4)11-10(9)7(2)3/h9-11H,2,4-6H2,1,3H3
InChIKeyYAWXYITTWAJYFC-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.46
Rot. Bonds3

About 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine

2-methylidene-4-prop-1-en-2-yl-3-propylazetidine (PubChem CID 126555441) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine.

Molecular Properties

Compound Name2-methylidene-4-prop-1-en-2-yl-3-propylazetidine
PubChem CID126555441
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methylidene-4-prop-1-en-2-yl-3-propylazetidine
SMILESC=C1NC(C(=C)C)C1CCC
InChIInChI=1S/C10H17N/c1-5-6-9-8(4)11-10(9)7(2)3/h9-11H,2,4-6H2,1,3H3
InChIKeyYAWXYITTWAJYFC-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine 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

2-methylidene-3-propylaziridine
CID 149135851
1-ethyl-2-methylidene-3-propylcyclopropane
CID 123561937
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
CID 155697508
tert-butyl (2S,3S,4R)-4-(2-methylprop-2-enyl)-5-oxo-3-propylpyrrolidine-2-carboxylate
CID 25179597
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
5-prop-1-en-2-yl-3-propyl-2,3-dihydro-1H-pyrrole
CID 141432673
butane;ethane;2-methylprop-1-ene
CID 142168819
(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine
CID 146666517
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
bis(2-methylprop-1-ene);propane
CID 159493997

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine?
The IUPAC name of 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine (CID 126555441) is 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine.
What is the SMILES notation for 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine?
The canonical SMILES for 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine is C=C1NC(C(=C)C)C1CCC.
What is the InChIKey of 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine?
The InChIKey is YAWXYITTWAJYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-9-8(4)11-10(9)7(2)3/h9-11H,2,4-6H2,1,3H3.
What are the key properties of 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine?
2-methylidene-4-prop-1-en-2-yl-3-propylazetidine has a molecular weight of 151.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-prop-1-en-2-yl-3-propylazetidine is sourced from PubChem (CID 126555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).