1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide

C10H13N3O2 — CID 80598716

IUPAC1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESN#CC1(C(=O)N2CCCC2C(N)=O)CC1
InChIInChI=1S/C10H13N3O2/c11-6-10(3-4-10)9(15)13-5-1-2-7(13)8(12)14/h7H,1-5H2,(H2,12,14)
InChIKeyWFFSKKXUSLCPBH-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.23
Rot. Bonds2

About 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide

1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 80598716) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID80598716
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESN#CC1(C(=O)N2CCCC2C(N)=O)CC1
InChIInChI=1S/C10H13N3O2/c11-6-10(3-4-10)9(15)13-5-1-2-7(13)8(12)14/h7H,1-5H2,(H2,12,14)
InChIKeyWFFSKKXUSLCPBH-UHFFFAOYSA-N
XLogP-0.23
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 80598716) is 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide is N#CC1(C(=O)N2CCCC2C(N)=O)CC1.
What is the InChIKey of 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WFFSKKXUSLCPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-6-10(3-4-10)9(15)13-5-1-2-7(13)8(12)14/h7H,1-5H2,(H2,12,14).
What are the key properties of 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide?
1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80598716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).