N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide

C14H20N2O — CID 4503086

IUPACN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)C2CC2)C1
InChIInChI=1S/C14H20N2O/c1-9(2)12-5-4-10(3)13(8-12)15-16-14(17)11-6-7-11/h4,11-12H,1,5-8H2,2-3H3,(H,16,17)
InChIKeyVAPOBSVIHRGTMY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds3

About N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide

N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide (PubChem CID 4503086) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide
PubChem CID4503086
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)C2CC2)C1
InChIInChI=1S/C14H20N2O/c1-9(2)12-5-4-10(3)13(8-12)15-16-14(17)11-6-7-11/h4,11-12H,1,5-8H2,2-3H3,(H,16,17)
InChIKeyVAPOBSVIHRGTMY-UHFFFAOYSA-N
XLogP2.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-(3-methylcyclopent-2-en-1-ylidene)cyclopropanecarbohydrazide
CID 6378962
N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide
CID 6006541
4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
3-(5-iminohexan-2-yl)-4-methyl-1H-pyridazin-6-one
CID 123320884
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
3-butan-2-yl-5-propan-2-yl-1H-pyridazin-6-one
CID 166843521
4-cyclopropyl-3-propan-2-yl-1H-pyridazin-6-one
CID 169984787
N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
CID 171400493
4-cyclopropyl-3-methyl-1H-pyridazin-6-one
CID 176719729
N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide
CID 4086898
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclohexanecarboxamide
CID 4503090
N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide
CID 4630871

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The IUPAC name of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide (CID 4503086) is N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide is C=C(C)C1CC=C(C)C(=NNC(=O)C2CC2)C1.
What is the InChIKey of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The InChIKey is VAPOBSVIHRGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)12-5-4-10(3)13(8-12)15-16-14(17)11-6-7-11/h4,11-12H,1,5-8H2,2-3H3,(H,16,17).
What are the key properties of N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide?
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]cyclopropanecarboxamide is sourced from PubChem (CID 4503086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).