N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine

C9H12N2 — CID 174011056

IUPACN-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine
SMILESC=Cc1cc[nH]c1N=CCC
InChIInChI=1S/C9H12N2/c1-3-6-10-9-8(4-2)5-7-11-9/h4-7,11H,2-3H2,1H3
InChIKeyVPIKQHHGXSBGDU-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.77
Rot. Bonds3

About N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine

N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine (PubChem CID 174011056) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine
PubChem CID174011056
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine
SMILESC=Cc1cc[nH]c1N=CCC
InChIInChI=1S/C9H12N2/c1-3-6-10-9-8(4-2)5-7-11-9/h4-7,11H,2-3H2,1H3
InChIKeyVPIKQHHGXSBGDU-UHFFFAOYSA-N
XLogP2.77
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
(Z)-N-(3-ethenyl-2-pyridinyl)propan-1-imine
CID 178088969
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane
CID 144842549
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
3,4,5,6-tetrakis(ethenyl)phenanthrene
CID 143743555
2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
CID 90462452
N-[3-(2-methylprop-1-enyl)-1H-pyrrol-2-yl]methanimine
CID 138600666
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
CID 123665873
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine?
The IUPAC name of N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine (CID 174011056) is N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine.
What is the SMILES notation for N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine?
The canonical SMILES for N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine is C=Cc1cc[nH]c1N=CCC.
What is the InChIKey of N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine?
The InChIKey is VPIKQHHGXSBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-6-10-9-8(4-2)5-7-11-9/h4-7,11H,2-3H2,1H3.
What are the key properties of N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine?
N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine has a molecular weight of 148.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine is sourced from PubChem (CID 174011056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).