1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine

C9H13ClN2 — CID 105441416

IUPAC1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2c[nH]c(Cl)c2)CC1
InChIInChI=1S/C9H13ClN2/c10-8-5-7(6-12-8)1-2-9(11)3-4-9/h5-6,12H,1-4,11H2
InChIKeyIWUZQOIFJAXIDI-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine

1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 105441416) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine
PubChem CID105441416
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2c[nH]c(Cl)c2)CC1
InChIInChI=1S/C9H13ClN2/c10-8-5-7(6-12-8)1-2-9(11)3-4-9/h5-6,12H,1-4,11H2
InChIKeyIWUZQOIFJAXIDI-UHFFFAOYSA-N
XLogP2.09
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine (CID 105441416) is 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine is NC1(CCc2c[nH]c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is IWUZQOIFJAXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-8-5-7(6-12-8)1-2-9(11)3-4-9/h5-6,12H,1-4,11H2.
What are the key properties of 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine?
1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 184.67 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-pyrrol-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105441416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).