N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide

C17H19NO2 — CID 5310864

IUPACN-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide
SMILESC/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C
InChIInChI=1S/C17H19NO2/c1-10(18-16(20)11-7-5-4-6-8-11)14-13(19)9-12-15(14)17(12,2)3/h4-8,12,15H,9H2,1-3H3,(H,18,20)/b14-10+
InChIKeyAEGPEQPADQUZBA-GXDHUFHOSA-N
MW269.34 g/mol
LogP2.94
Rot. Bonds2

About N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide

N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide (PubChem CID 5310864) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide
PubChem CID5310864
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide
SMILESC/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C
InChIInChI=1S/C17H19NO2/c1-10(18-16(20)11-7-5-4-6-8-11)14-13(19)9-12-15(14)17(12,2)3/h4-8,12,15H,9H2,1-3H3,(H,18,20)/b14-10+
InChIKeyAEGPEQPADQUZBA-GXDHUFHOSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide?
The IUPAC name of N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide (CID 5310864) is N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide.
What is the SMILES notation for N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide?
The canonical SMILES for N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide is C/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C.
What is the InChIKey of N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide?
The InChIKey is AEGPEQPADQUZBA-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(18-16(20)11-7-5-4-6-8-11)14-13(19)9-12-15(14)17(12,2)3/h4-8,12,15H,9H2,1-3H3,(H,18,20)/b14-10+.
What are the key properties of N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide?
N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide is sourced from PubChem (CID 5310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).