3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine

C7H12N2 — CID 88999256

IUPAC3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine
SMILES[H]/N=C/CCC1=CNCC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h4,6,8-9H,1-3,5H2/b8-4+
InChIKeyHJGXYRKGEVALQK-XBXARRHUSA-N
MW124.19 g/mol
LogP1.29
Rot. Bonds3

About 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine

3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine (PubChem CID 88999256) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine
PubChem CID88999256
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine
SMILES[H]/N=C/CCC1=CNCC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h4,6,8-9H,1-3,5H2/b8-4+
InChIKeyHJGXYRKGEVALQK-XBXARRHUSA-N
XLogP1.29
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine
CID 58455185
2-(3H-pyrrol-4-yl)ethanamine
CID 119090608
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine
CID 143587089
N-methyl-1-(3H-pyrrol-4-yl)propan-2-amine
CID 158084301
(2R)-N-ethyl-1-(3H-pyrrol-4-yl)propan-2-amine
CID 160169269
2-(1-methyl-3H-pyrrol-1-ium-4-yl)ethanamine
CID 161504643
(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine
CID 166131199

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine (CID 88999256) is 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine is [H]/N=C/CCC1=CNCC1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine?
The InChIKey is HJGXYRKGEVALQK-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h4,6,8-9H,1-3,5H2/b8-4+.
What are the key properties of 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine?
3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine is sourced from PubChem (CID 88999256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).