(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine

C7H11ClN2 — CID 130618988

IUPAC(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cl)[nH]1
InChIInChI=1S/C7H11ClN2/c1-2-5(9)6-3-4-7(8)10-6/h3-5,10H,2,9H2,1H3/t5-/m0/s1
InChIKeyCDUOJLKAUASUAR-YFKPBYRVSA-N
MW158.63 g/mol
LogP2.08
Rot. Bonds2

About (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine

(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine (PubChem CID 130618988) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine
PubChem CID130618988
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cl)[nH]1
InChIInChI=1S/C7H11ClN2/c1-2-5(9)6-3-4-7(8)10-6/h3-5,10H,2,9H2,1H3/t5-/m0/s1
InChIKeyCDUOJLKAUASUAR-YFKPBYRVSA-N
XLogP2.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
CID 130671245
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
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5-(1-aminopropyl)-2-chloroaniline
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CID 55254925

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine (CID 130618988) is (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine is CC[C@H](N)c1ccc(Cl)[nH]1.
What is the InChIKey of (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is CDUOJLKAUASUAR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-2-5(9)6-3-4-7(8)10-6/h3-5,10H,2,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine?
(1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 158.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 130618988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).