N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide

C20H24N2O — CID 6375710

IUPACN-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESC=C(C)C1CC=C(C)/C(=N/NC(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-13(2)16-10-9-14(3)19(11-16)21-22-20(23)18-12-17(18)15-7-5-4-6-8-15/h4-9,16-18H,1,10-12H2,2-3H3,(H,22,23)/b21-19+
InChIKeyKATNNXZDWUXEDO-XUTLUUPISA-N
MW308.43 g/mol
LogP4.19
Rot. Bonds4

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

N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 6375710) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide
PubChem CID6375710
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESC=C(C)C1CC=C(C)/C(=N/NC(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-13(2)16-10-9-14(3)19(11-16)21-22-20(23)18-12-17(18)15-7-5-4-6-8-15/h4-9,16-18H,1,10-12H2,2-3H3,(H,22,23)/b21-19+
InChIKeyKATNNXZDWUXEDO-XUTLUUPISA-N
XLogP4.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.19
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

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CID 242935
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3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
3-Phenyl-5-pyrazolone
CID 78577
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9649118

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide (CID 6375710) is N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide is C=C(C)C1CC=C(C)/C(=N/NC(=O)C2CC2c2ccccc2)C1.
What is the InChIKey of N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KATNNXZDWUXEDO-XUTLUUPISA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)16-10-9-14(3)19(11-16)21-22-20(23)18-12-17(18)15-7-5-4-6-8-15/h4-9,16-18H,1,10-12H2,2-3H3,(H,22,23)/b21-19+.
What are the key properties of N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide?
N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6375710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).