N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine

C10H14N2 — CID 170118022

IUPACN-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine
SMILESC=C1NCC(/N=C/C)=C1/C=C\C
InChIInChI=1S/C10H14N2/c1-4-6-9-8(3)12-7-10(9)11-5-2/h4-6,12H,3,7H2,1-2H3/b6-4-,11-5+
InChIKeySRWNOLCNPXLPOI-NQTKGXIKSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine

N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine (PubChem CID 170118022) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine.

Molecular Properties

Compound NameN-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine
PubChem CID170118022
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine
SMILESC=C1NCC(/N=C/C)=C1/C=C\C
InChIInChI=1S/C10H14N2/c1-4-6-9-8(3)12-7-10(9)11-5-2/h4-6,12H,3,7H2,1-2H3/b6-4-,11-5+
InChIKeySRWNOLCNPXLPOI-NQTKGXIKSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine?
The IUPAC name of N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine (CID 170118022) is N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine.
What is the SMILES notation for N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine?
The canonical SMILES for N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine is C=C1NCC(/N=C/C)=C1/C=C\C.
What is the InChIKey of N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine?
The InChIKey is SRWNOLCNPXLPOI-NQTKGXIKSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-9-8(3)12-7-10(9)11-5-2/h4-6,12H,3,7H2,1-2H3/b6-4-,11-5+.
What are the key properties of N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine?
N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-yl]ethanimine is sourced from PubChem (CID 170118022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).