1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine

C7H12N2 — CID 85431210

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
SMILESCC(N)=CC1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3
InChIKeyMIEKTQNVLICORZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine

1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine (PubChem CID 85431210) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
PubChem CID85431210
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
SMILESCC(N)=CC1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3
InChIKeyMIEKTQNVLICORZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
CID 162729112
(E)-5-fluoro-4-methyliminohex-2-en-2-amine
CID 172586650
(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
CID 11194331
4-(3H-pyrrol-5-yl)butan-1-amine
CID 23562973
5-methyl-2H-pyrrol-3-amine
CID 59161450
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
CID 68983220
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-ethyl-amine
CID 68983223
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-methyl-amine
CID 69247067
(Z)-1-iminohept-2-en-3-amine
CID 88968413
(E)-4-ethenyliminohex-2-en-2-amine
CID 89277427
ethane;5-methyl-2H-pyrrol-3-amine
CID 91228412
5-Ethylpyrrol-3-imine
CID 118109937

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine (CID 85431210) is 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine is CC(N)=CC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The InChIKey is MIEKTQNVLICORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine is sourced from PubChem (CID 85431210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).