(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane

C14H25N — CID 155037085

IUPAC(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane
SMILESCC(C)/C=C1\CCC2C(C1)CN2C(C)C
InChIInChI=1S/C14H25N/c1-10(2)7-12-5-6-14-13(8-12)9-15(14)11(3)4/h7,10-11,13-14H,5-6,8-9H2,1-4H3/b12-7+
InChIKeyZTUUATOFUILMEA-KPKJPENVSA-N
MW207.36 g/mol
LogP3.46
Rot. Bonds2

About (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane

(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane (PubChem CID 155037085) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane
PubChem CID155037085
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane
SMILESCC(C)/C=C1\CCC2C(C1)CN2C(C)C
InChIInChI=1S/C14H25N/c1-10(2)7-12-5-6-14-13(8-12)9-15(14)11(3)4/h7,10-11,13-14H,5-6,8-9H2,1-4H3/b12-7+
InChIKeyZTUUATOFUILMEA-KPKJPENVSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane?
The IUPAC name of (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane (CID 155037085) is (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane.
What is the SMILES notation for (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane?
The canonical SMILES for (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane is CC(C)/C=C1\CCC2C(C1)CN2C(C)C.
What is the InChIKey of (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane?
The InChIKey is ZTUUATOFUILMEA-KPKJPENVSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)7-12-5-6-14-13(8-12)9-15(14)11(3)4/h7,10-11,13-14H,5-6,8-9H2,1-4H3/b12-7+.
What are the key properties of (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane?
(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane has a molecular weight of 207.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane is sourced from PubChem (CID 155037085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).