2H-pyrrol-4-amine

C4H6N2 — CID 145147999

IUPAC2H-pyrrol-4-amine
SMILESNC1=CCN=C1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,2,5H2
InChIKeyBKPSBVWGMZXEBE-UHFFFAOYSA-N
MW82.11 g/mol
LogP-0.09
Rot. Bonds

About 2H-pyrrol-4-amine

2H-pyrrol-4-amine (PubChem CID 145147999) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 2H-pyrrol-4-amine.

Molecular Properties

Compound Name2H-pyrrol-4-amine
PubChem CID145147999
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name2H-pyrrol-4-amine
SMILESNC1=CCN=C1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,2,5H2
InChIKeyBKPSBVWGMZXEBE-UHFFFAOYSA-N
XLogP-0.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2H-azepin-6-amine
CID 134187386
2-methyl-4H-1,3-diazepin-6-amine
CID 143422140
4-bromo-2H-pyrrole
CID 59255348
4-chloro-2H-pyrrole
CID 58542028
(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine
CID 177054530
7H-indeno[4,5-h]isoquinoline
CID 6452601
5,6-dihydro-2H-azepin-3-amine
CID 135243865
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
N-but-1-en-2-yl-4H-1,3-diazepin-6-amine
CID 146416593
4-amino-3,7-dihydropyrimido[4,5-e][1,4]diazepin-2-one
CID 138461818
2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
CID 145083150
5-(aminomethyl)cyclohexa-1,5-dien-1-amine
CID 89240417

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrol-4-amine?
The IUPAC name of 2H-pyrrol-4-amine (CID 145147999) is 2H-pyrrol-4-amine.
What is the SMILES notation for 2H-pyrrol-4-amine?
The canonical SMILES for 2H-pyrrol-4-amine is NC1=CCN=C1.
What is the InChIKey of 2H-pyrrol-4-amine?
The InChIKey is BKPSBVWGMZXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,2,5H2.
What are the key properties of 2H-pyrrol-4-amine?
2H-pyrrol-4-amine has a molecular weight of 82.11 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrol-4-amine is sourced from PubChem (CID 145147999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).