N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H23NO — CID 12760877

IUPACN,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCN(CCC)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H23NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyQJHZHLQGYGIINY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds5

About N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 12760877) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID12760877
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCN(CCC)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H23NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyQJHZHLQGYGIINY-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
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-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 12760877) is N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCN(CCC)C(=O)C1CC2C=CC1C2.
What is the InChIKey of N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is QJHZHLQGYGIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 12760877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).