1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide

C9H9N3O — CID 115181401

IUPAC1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc[nH]c2)CC1
InChIInChI=1S/C9H9N3O/c10-6-9(2-3-9)8(13)12-7-1-4-11-5-7/h1,4-5,11H,2-3H2,(H,12,13)
InChIKeyXZNGHRCPEDPBLA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.26
Rot. Bonds2

About 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide

1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide (PubChem CID 115181401) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide
PubChem CID115181401
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc[nH]c2)CC1
InChIInChI=1S/C9H9N3O/c10-6-9(2-3-9)8(13)12-7-1-4-11-5-7/h1,4-5,11H,2-3H2,(H,12,13)
InChIKeyXZNGHRCPEDPBLA-UHFFFAOYSA-N
XLogP1.26
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide (CID 115181401) is 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cc[nH]c2)CC1.
What is the InChIKey of 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XZNGHRCPEDPBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-9(2-3-9)8(13)12-7-1-4-11-5-7/h1,4-5,11H,2-3H2,(H,12,13).
What are the key properties of 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide?
1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115181401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).