N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide

C12H19N3O2 — CID 9351479

IUPACN'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-11(16)12(17)15-13-8-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,14,16)(H,15,17)/b13-8-/t10-/m1/s1
InChIKeyYXNXOSVZMLBILJ-GARZTLJTSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds3

About N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351479) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
PubChem CID9351479
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-11(16)12(17)15-13-8-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,14,16)(H,15,17)/b13-8-/t10-/m1/s1
InChIKeyYXNXOSVZMLBILJ-GARZTLJTSA-N
XLogP0.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
CID 7809782
1-(cyclohex-3-en-1-ylmethylideneamino)-3-propan-2-ylthiourea
CID 3609168
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
1-[(E)-cyclohex-3-en-1-ylmethylideneamino]-3-methylthiourea
CID 110337362
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175894
[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
CID 7750219
methyl N-[(E)-cyclohex-3-en-1-ylmethylideneamino]carbamodithioate
CID 170856160
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5390946
N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
CID 4284362
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide (CID 9351479) is N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\[C@@H]1CC=CCC1.
What is the InChIKey of N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is YXNXOSVZMLBILJ-GARZTLJTSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)14-11(16)12(17)15-13-8-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,14,16)(H,15,17)/b13-8-/t10-/m1/s1.
What are the key properties of N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 237.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).