(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine

C8H11ClN2 — CID 130000802

IUPAC(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine
SMILESNC(c1c[nH]c(Cl)c1)C1CC1
InChIInChI=1S/C8H11ClN2/c9-7-3-6(4-11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,10H2
InChIKeyFAFMGWYNTXTJFS-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.08
Rot. Bonds2

About (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine

(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine (PubChem CID 130000802) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine
PubChem CID130000802
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine
SMILESNC(c1c[nH]c(Cl)c1)C1CC1
InChIInChI=1S/C8H11ClN2/c9-7-3-6(4-11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,10H2
InChIKeyFAFMGWYNTXTJFS-UHFFFAOYSA-N
XLogP2.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-2-one
CID 55262975
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
CID 171200000
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine?
The IUPAC name of (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine (CID 130000802) is (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine.
What is the SMILES notation for (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine?
The canonical SMILES for (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine is NC(c1c[nH]c(Cl)c1)C1CC1.
What is the InChIKey of (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine?
The InChIKey is FAFMGWYNTXTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-7-3-6(4-11-7)8(10)5-1-2-5/h3-5,8,11H,1-2,10H2.
What are the key properties of (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine?
(5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine has a molecular weight of 170.64 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 (5-chloro-1H-pyrrol-3-yl)-cyclopropylmethanamine is sourced from PubChem (CID 130000802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).