N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine

C8H12N2 — CID 138747410

IUPACN-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
SMILESC=NC1=C(/C=C\C)CCN1
InChIInChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h3-4,10H,2,5-6H2,1H3/b4-3-
InChIKeyLSNDAZGMPVXARB-ARJAWSKDSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds2

About N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine

N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine (PubChem CID 138747410) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine.

Molecular Properties

Compound NameN-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
PubChem CID138747410
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
SMILESC=NC1=C(/C=C\C)CCN1
InChIInChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h3-4,10H,2,5-6H2,1H3/b4-3-
InChIKeyLSNDAZGMPVXARB-ARJAWSKDSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
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-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine?
The IUPAC name of N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine (CID 138747410) is N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine.
What is the SMILES notation for N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine?
The canonical SMILES for N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine is C=NC1=C(/C=C\C)CCN1.
What is the InChIKey of N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine?
The InChIKey is LSNDAZGMPVXARB-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h3-4,10H,2,5-6H2,1H3/b4-3-.
What are the key properties of N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine?
N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine is sourced from PubChem (CID 138747410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).