(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride

C6H12ClN3 — CID 171201680

IUPAC(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C6H11N3.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5,9H,4,7-8H2;1H/t5-;/m1./s1
InChIKeyWUMATIQMHZQSEA-NUBCRITNSA-N
MW161.64 g/mol
LogP0.40
Rot. Bonds2

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

(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 171201680) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID171201680
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C6H11N3.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5,9H,4,7-8H2;1H/t5-;/m1./s1
InChIKeyWUMATIQMHZQSEA-NUBCRITNSA-N
XLogP0.40
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(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
(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 55292248
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265
3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 2740805
3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 55275457
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride (CID 171201680) is (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@@H](N)c1ccc[nH]1.
What is the InChIKey of (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is WUMATIQMHZQSEA-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5,9H,4,7-8H2;1H/t5-;/m1./s1.
What are the key properties of (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171201680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).