4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide

C18H23NO — CID 6747304

IUPAC4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1
InChIInChI=1S/C18H23NO/c1-12-5-7-13(8-6-12)16(20)19-15-11-14-9-10-18(15,4)17(14,2)3/h5-8,14H,9-11H2,1-4H3/b19-15+/t14-,18+/m0/s1
InChIKeyQHRWIYCBIBBJQB-POJSKFFVSA-N
MW269.39 g/mol
LogP4.42
Rot. Bonds1

About 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide

4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide (PubChem CID 6747304) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide
PubChem CID6747304
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1
InChIInChI=1S/C18H23NO/c1-12-5-7-13(8-6-12)16(20)19-15-11-14-9-10-18(15,4)17(14,2)3/h5-8,14H,9-11H2,1-4H3/b19-15+/t14-,18+/m0/s1
InChIKeyQHRWIYCBIBBJQB-POJSKFFVSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide?
The IUPAC name of 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide (CID 6747304) is 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide?
The canonical SMILES for 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide is Cc1ccc(C(=O)/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide?
The InChIKey is QHRWIYCBIBBJQB-POJSKFFVSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-7-13(8-6-12)16(20)19-15-11-14-9-10-18(15,4)17(14,2)3/h5-8,14H,9-11H2,1-4H3/b19-15+/t14-,18+/m0/s1.
What are the key properties of 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide?
4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide has a molecular weight of 269.39 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]benzamide is sourced from PubChem (CID 6747304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).