N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C18H26N2O — CID 143458421

IUPACN-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)C1=CCC(/C=N/NC(=O)C2C3CCCCC32)C=C1
InChIInChI=1S/C18H26N2O/c1-12(2)14-9-7-13(8-10-14)11-19-20-18(21)17-15-5-3-4-6-16(15)17/h7,9-13,15-17H,3-6,8H2,1-2H3,(H,20,21)/b19-11+
InChIKeyCQXWQRFXGGRVPQ-YBFXNURJSA-N
MW286.42 g/mol
LogP3.68
Rot. Bonds4

About N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 143458421) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID143458421
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)C1=CCC(/C=N/NC(=O)C2C3CCCCC32)C=C1
InChIInChI=1S/C18H26N2O/c1-12(2)14-9-7-13(8-10-14)11-19-20-18(21)17-15-5-3-4-6-16(15)17/h7,9-13,15-17H,3-6,8H2,1-2H3,(H,20,21)/b19-11+
InChIKeyCQXWQRFXGGRVPQ-YBFXNURJSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide
CID 143969035
N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide
CID 3601226
N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide
CID 3630614
N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide
CID 4141652
N-(cyclohex-3-en-1-ylmethylideneamino)nonanamide
CID 4414968
N-(3,7-dimethylocta-2,6-dienylideneamino)cyclohexanecarboxamide
CID 4503087
N-(cyclohex-3-en-1-ylmethylideneamino)octanamide
CID 4609512
N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide
CID 5174220
N-(cyclohex-3-en-1-ylmethylideneamino)decanamide
CID 5228148
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]dodecanamide
CID 9610670
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]decanamide
CID 9612956

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 143458421) is N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is CC(C)C1=CCC(/C=N/NC(=O)C2C3CCCCC32)C=C1.
What is the InChIKey of N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is CQXWQRFXGGRVPQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)14-9-7-13(8-10-14)11-19-20-18(21)17-15-5-3-4-6-16(15)17/h7,9-13,15-17H,3-6,8H2,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 143458421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).