1-(1H-pyrrol-2-yl)ethane-1,2-diamine

C6H11N3 — CID 55293480

IUPAC1-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccc[nH]1
InChIInChI=1S/C6H11N3/c7-4-5(8)6-2-1-3-9-6/h1-3,5,9H,4,7-8H2
InChIKeySWZORMNAOVTQIB-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.03
Rot. Bonds2

About 1-(1H-pyrrol-2-yl)ethane-1,2-diamine

1-(1H-pyrrol-2-yl)ethane-1,2-diamine (PubChem CID 55293480) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)ethane-1,2-diamine
PubChem CID55293480
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccc[nH]1
InChIInChI=1S/C6H11N3/c7-4-5(8)6-2-1-3-9-6/h1-3,5,9H,4,7-8H2
InChIKeySWZORMNAOVTQIB-UHFFFAOYSA-N
XLogP-0.03
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 55292248
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 2740805
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 55275457
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(1H-pyrrol-2-yl)ethane-1,2-diamine (CID 55293480) is 1-(1H-pyrrol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(1H-pyrrol-2-yl)ethane-1,2-diamine is NCC(N)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The InChIKey is SWZORMNAOVTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-4-5(8)6-2-1-3-9-6/h1-3,5,9H,4,7-8H2.
What are the key properties of 1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
1-(1H-pyrrol-2-yl)ethane-1,2-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55293480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).