N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide

C10H17NO2 — CID 122365639

IUPACN-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C10H17NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3,5,7-9,12H,4,6H2,1-2H3,(H,11,13)/t8-,9+/m1/s1
InChIKeyFWHNJEAZLAZYSG-BDAKNGLRSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds2

About N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide

N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide (PubChem CID 122365639) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide
PubChem CID122365639
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C10H17NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3,5,7-9,12H,4,6H2,1-2H3,(H,11,13)/t8-,9+/m1/s1
InChIKeyFWHNJEAZLAZYSG-BDAKNGLRSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide (CID 122365639) is N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1C=C[C@H](O)CC1.
What is the InChIKey of N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide?
The InChIKey is FWHNJEAZLAZYSG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3,5,7-9,12H,4,6H2,1-2H3,(H,11,13)/t8-,9+/m1/s1.
What are the key properties of N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide?
N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-methylpropanamide is sourced from PubChem (CID 122365639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).