N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine

C15H20N2 — CID 70673536

IUPACN-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine
SMILESC=C(C)C1=C(N/C(=C\CC)C2CC2)C(=C)N=C1
InChIInChI=1S/C15H20N2/c1-5-6-14(12-7-8-12)17-15-11(4)16-9-13(15)10(2)3/h6,9,12,17H,2,4-5,7-8H2,1,3H3/b14-6-
InChIKeyQSMMIOZPHCRLRI-NSIKDUERSA-N
MW228.34 g/mol
LogP3.71
Rot. Bonds5

About N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine

N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine (PubChem CID 70673536) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine.

Molecular Properties

Compound NameN-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine
PubChem CID70673536
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine
SMILESC=C(C)C1=C(N/C(=C\CC)C2CC2)C(=C)N=C1
InChIInChI=1S/C15H20N2/c1-5-6-14(12-7-8-12)17-15-11(4)16-9-13(15)10(2)3/h6,9,12,17H,2,4-5,7-8H2,1,3H3/b14-6-
InChIKeyQSMMIOZPHCRLRI-NSIKDUERSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine 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 N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine?
The IUPAC name of N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine (CID 70673536) is N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine.
What is the SMILES notation for N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine?
The canonical SMILES for N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine is C=C(C)C1=C(N/C(=C\CC)C2CC2)C(=C)N=C1.
What is the InChIKey of N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine?
The InChIKey is QSMMIOZPHCRLRI-NSIKDUERSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-6-14(12-7-8-12)17-15-11(4)16-9-13(15)10(2)3/h6,9,12,17H,2,4-5,7-8H2,1,3H3/b14-6-.
What are the key properties of N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine?
N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine has a molecular weight of 228.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine is sourced from PubChem (CID 70673536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).