(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine

C13H19N — CID 70308833

IUPAC(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine
SMILESCC=C/N=C1\CCC\C1=C(\C)C1CC1
InChIInChI=1S/C13H19N/c1-3-9-14-13-6-4-5-12(13)10(2)11-7-8-11/h3,9,11H,4-8H2,1-2H3/b9-3?,12-10+,14-13+
InChIKeyLFWDBMKHUIODSO-NBLLXFCOSA-N
MW189.30 g/mol
LogP3.87
Rot. Bonds2

About (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine

(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine (PubChem CID 70308833) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine
PubChem CID70308833
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine
SMILESCC=C/N=C1\CCC\C1=C(\C)C1CC1
InChIInChI=1S/C13H19N/c1-3-9-14-13-6-4-5-12(13)10(2)11-7-8-11/h3,9,11H,4-8H2,1-2H3/b9-3?,12-10+,14-13+
InChIKeyLFWDBMKHUIODSO-NBLLXFCOSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine?
The IUPAC name of (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine (CID 70308833) is (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine.
What is the SMILES notation for (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine?
The canonical SMILES for (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine is CC=C/N=C1\CCC\C1=C(\C)C1CC1.
What is the InChIKey of (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine?
The InChIKey is LFWDBMKHUIODSO-NBLLXFCOSA-N. The full InChI is InChI=1S/C13H19N/c1-3-9-14-13-6-4-5-12(13)10(2)11-7-8-11/h3,9,11H,4-8H2,1-2H3/b9-3?,12-10+,14-13+.
What are the key properties of (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine?
(2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-cyclopropylethylidene)-N-prop-1-enylcyclopentan-1-imine is sourced from PubChem (CID 70308833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).