N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide

C10H17NO2 — CID 79030595

IUPACN-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](CO)NC(=O)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/t8-,9?/m1/s1
InChIKeyBJBMVNICXPLRFF-VEDVMXKPSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 79030595) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID79030595
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](CO)NC(=O)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/t8-,9?/m1/s1
InChIKeyBJBMVNICXPLRFF-VEDVMXKPSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide (CID 79030595) is N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide is C[C@H](CO)NC(=O)C1CC=CCC1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is BJBMVNICXPLRFF-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/t8-,9?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 79030595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).