N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide

C10H13NO — CID 134940893

IUPACN,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide
SMILESCN(C)C(=O)C1=CC2C=CC1C2
InChIInChI=1S/C10H13NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyQTLNNNUXGNZRCI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.21
Rot. Bonds1

About N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide

N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide (PubChem CID 134940893) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide
PubChem CID134940893
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide
SMILESCN(C)C(=O)C1=CC2C=CC1C2
InChIInChI=1S/C10H13NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyQTLNNNUXGNZRCI-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide?
The IUPAC name of N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide (CID 134940893) is N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide.
What is the SMILES notation for N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide?
The canonical SMILES for N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide is CN(C)C(=O)C1=CC2C=CC1C2.
What is the InChIKey of N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide?
The InChIKey is QTLNNNUXGNZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(2)10(12)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide?
N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide is sourced from PubChem (CID 134940893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).