N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide

C10H17NO2 — CID 91664179

IUPACN-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide
SMILESCCOC1=CC[C@@H](NC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyTUZSMTBXZWSIHP-SECBINFHSA-N
MW183.25 g/mol
LogP1.60
Rot. Bonds3

About N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide

N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide (PubChem CID 91664179) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide
PubChem CID91664179
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide
SMILESCCOC1=CC[C@@H](NC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyTUZSMTBXZWSIHP-SECBINFHSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide (CID 91664179) is N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide is CCOC1=CC[C@@H](NC(C)=O)CC1.
What is the InChIKey of N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide?
The InChIKey is TUZSMTBXZWSIHP-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h6,9H,3-5,7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide?
N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-ethoxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 91664179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).