1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile

Name: 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₆ClNOS — CID 116920817

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile

SMILESN#CC1(C(=O)c2ccc(Cl)s2)CC1

InChIInChI=1S/C9H6ClNOS/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2H,3-4H2

InChIKeyPCCQXNOECYDLHI-UHFFFAOYSA-N

MW211.67 g/mol

LogP2.89

Rot. Bonds2

About 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile

1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 116920817) has the molecular formula C₉H₆ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name	1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile
PubChem CID	116920817
Molecular Formula	C₉H₆ClNOS
Molecular Weight	211.67 g/mol
Exact Mass	210.99
IUPAC Name	1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile
SMILES	N#CC1(C(=O)c2ccc(Cl)s2)CC1
InChI	InChI=1S/C9H6ClNOS/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2H,3-4H2
InChIKey	PCCQXNOECYDLHI-UHFFFAOYSA-N
XLogP	2.89
TPSA	40.86 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.67
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile?

The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile (CID 116920817) is 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile.

What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile?

The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)c2ccc(Cl)s2)CC1.

What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile?

The InChIKey is PCCQXNOECYDLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-2-1-6(13-7)8(12)9(5-11)3-4-9/h1-2H,3-4H2.

What are the key properties of 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile?

1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 211.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116920817 — identifiers, structure, computed properties (public domain)

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