N-[(1R)-1-cycloheptylethyl]prop-2-enamide

C12H21NO — CID 81392730

IUPACN-[(1R)-1-cycloheptylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C12H21NO/c1-3-12(14)13-10(2)11-8-6-4-5-7-9-11/h3,10-11H,1,4-9H2,2H3,(H,13,14)/t10-/m1/s1
InChIKeyZPQGCWDYRSKDTN-SNVBAGLBSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds3

About N-[(1R)-1-cycloheptylethyl]prop-2-enamide

N-[(1R)-1-cycloheptylethyl]prop-2-enamide (PubChem CID 81392730) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]prop-2-enamide
PubChem CID81392730
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1R)-1-cycloheptylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C12H21NO/c1-3-12(14)13-10(2)11-8-6-4-5-7-9-11/h3,10-11H,1,4-9H2,2H3,(H,13,14)/t10-/m1/s1
InChIKeyZPQGCWDYRSKDTN-SNVBAGLBSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
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-(1-cyclohexylethyl)prop-2-enamide
CID 541857
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
CID 81384583
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
sodium N-propan-2-ylprop-2-enamide
CID 19004870
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]prop-2-enamide (CID 81392730) is N-[(1R)-1-cycloheptylethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]prop-2-enamide is C=CC(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]prop-2-enamide?
The InChIKey is ZPQGCWDYRSKDTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-12(14)13-10(2)11-8-6-4-5-7-9-11/h3,10-11H,1,4-9H2,2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]prop-2-enamide?
N-[(1R)-1-cycloheptylethyl]prop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]prop-2-enamide is sourced from PubChem (CID 81392730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).