N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

C10H12N2O — CID 141293117

IUPACN-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H12N2O/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyFADBERFBYZDJIA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.29
Rot. Bonds2

About N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 141293117) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID141293117
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H12N2O/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyFADBERFBYZDJIA-UHFFFAOYSA-N
XLogP1.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (CID 141293117) is N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is CC(C)(C#N)NC(=O)C1=CC=CC1.
What is the InChIKey of N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is FADBERFBYZDJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 141293117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).