2,2-dicyano-3-phenylcyclopropane-1-carboxamide

C12H9N3O — CID 2839473

IUPAC2,2-dicyano-3-phenylcyclopropane-1-carboxamide
SMILESN#CC1(C#N)C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C12H9N3O/c13-6-12(7-14)9(10(12)11(15)16)8-4-2-1-3-5-8/h1-5,9-10H,(H2,15,16)
InChIKeyRRTNUKSUIMWGRX-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.92
Rot. Bonds2

About 2,2-dicyano-3-phenylcyclopropane-1-carboxamide

2,2-dicyano-3-phenylcyclopropane-1-carboxamide (PubChem CID 2839473) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2,2-dicyano-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dicyano-3-phenylcyclopropane-1-carboxamide
PubChem CID2839473
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2,2-dicyano-3-phenylcyclopropane-1-carboxamide
SMILESN#CC1(C#N)C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C12H9N3O/c13-6-12(7-14)9(10(12)11(15)16)8-4-2-1-3-5-8/h1-5,9-10H,(H2,15,16)
InChIKeyRRTNUKSUIMWGRX-UHFFFAOYSA-N
XLogP0.92
TPSA90.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97606
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CID 198947
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CID 221297
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CID 223465
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CID 257232
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CID 2826792
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CID 11110736
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CID 292217
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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyano-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dicyano-3-phenylcyclopropane-1-carboxamide (CID 2839473) is 2,2-dicyano-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dicyano-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dicyano-3-phenylcyclopropane-1-carboxamide is N#CC1(C#N)C(C(N)=O)C1c1ccccc1.
What is the InChIKey of 2,2-dicyano-3-phenylcyclopropane-1-carboxamide?
The InChIKey is RRTNUKSUIMWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-6-12(7-14)9(10(12)11(15)16)8-4-2-1-3-5-8/h1-5,9-10H,(H2,15,16).
What are the key properties of 2,2-dicyano-3-phenylcyclopropane-1-carboxamide?
2,2-dicyano-3-phenylcyclopropane-1-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyano-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2839473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).