(1S)-2,2-dimethylcyclopropane-1-carboxamide

C6H11NO — CID 10197657

IUPAC(1S)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(N)=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1
InChIKeyYBZQRYWKYBZZNT-SCSAIBSYSA-N
MW113.16 g/mol
LogP0.52
Rot. Bonds1

About (1S)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 10197657) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID10197657
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(N)=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1
InChIKeyYBZQRYWKYBZZNT-SCSAIBSYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboxamide (CID 10197657) is (1S)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(N)=O.
What is the InChIKey of (1S)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is YBZQRYWKYBZZNT-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1.
What are the key properties of (1S)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 113.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 10197657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).