(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide

C16H25NO2 — CID 51521314

IUPAC(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)13(18)10-11-12-8-9-16(5,14(11)19)15(12,3)4/h10,12H,6-9H2,1-5H3/b11-10-/t12-,16+/m1/s1
InChIKeyULDRIUWGHBQBBL-FKQGJUFDSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds3

About (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide

(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide (PubChem CID 51521314) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide
PubChem CID51521314
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)13(18)10-11-12-8-9-16(5,14(11)19)15(12,3)4/h10,12H,6-9H2,1-5H3/b11-10-/t12-,16+/m1/s1
InChIKeyULDRIUWGHBQBBL-FKQGJUFDSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide?
The IUPAC name of (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide (CID 51521314) is (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide.
What is the SMILES notation for (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide?
The canonical SMILES for (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide is CCN(CC)C(=O)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide?
The InChIKey is ULDRIUWGHBQBBL-FKQGJUFDSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(7-2)13(18)10-11-12-8-9-16(5,14(11)19)15(12,3)4/h10,12H,6-9H2,1-5H3/b11-10-/t12-,16+/m1/s1.
What are the key properties of (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide?
(2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-diethyl-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetamide is sourced from PubChem (CID 51521314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).