N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide

C11H19NO — CID 130884658

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)=C(C)C
InChIInChI=1S/C11H19NO/c1-5-9-6-10(9)12-11(13)8(4)7(2)3/h9-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyNKEMVAVGGPEJOZ-NXEZZACHSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide

N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide (PubChem CID 130884658) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
PubChem CID130884658
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)=C(C)C
InChIInChI=1S/C11H19NO/c1-5-9-6-10(9)12-11(13)8(4)7(2)3/h9-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyNKEMVAVGGPEJOZ-NXEZZACHSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
CID 131131449
2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
CID 130718570
2-(cyclopropylamino)-N-(2-ethylcyclopropyl)acetamide
CID 103843959
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865
N-(2-ethylcyclopropyl)benzamide
CID 103669419
2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
CID 131131939
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
N-(2-ethylcyclopropyl)-4-methylpiperidine-1-carboxamide
CID 103878354
3-amino-N-(2-ethylcyclopropyl)-2-methoxypropanamide
CID 106114319
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872199
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide (CID 130884658) is N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide is CC[C@@H]1C[C@H]1NC(=O)C(C)=C(C)C.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide?
The InChIKey is NKEMVAVGGPEJOZ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-9-6-10(9)12-11(13)8(4)7(2)3/h9-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide?
N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 130884658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).