N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide

C11H19NO — CID 134862425

IUPACN-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
SMILESC=CC[C@@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C11H19NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h3,10-11H,1,4-8H2,2H3,(H,12,13)/t10-,11+/m1/s1
InChIKeyDKJPEQYUGTZEEC-MNOVXSKESA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide

N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide (PubChem CID 134862425) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
PubChem CID134862425
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
SMILESC=CC[C@@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C11H19NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h3,10-11H,1,4-8H2,2H3,(H,12,13)/t10-,11+/m1/s1
InChIKeyDKJPEQYUGTZEEC-MNOVXSKESA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide (CID 134862425) is N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide is C=CC[C@@H]1CCCC[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide?
The InChIKey is DKJPEQYUGTZEEC-MNOVXSKESA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h3,10-11H,1,4-8H2,2H3,(H,12,13)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide?
N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide 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-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide is sourced from PubChem (CID 134862425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).