N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

C15H21NO — CID 20727712

IUPACN-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C15H21NO/c1-2-13(17)16-12-7-10-6-11(12)15-9-4-3-8(5-9)14(10)15/h2,8-12,14-15H,1,3-7H2,(H,16,17)
InChIKeyLHITVKCJLHUERB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.36
Rot. Bonds2

About N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (PubChem CID 20727712) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
PubChem CID20727712
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C15H21NO/c1-2-13(17)16-12-7-10-6-11(12)15-9-4-3-8(5-9)14(10)15/h2,8-12,14-15H,1,3-7H2,(H,16,17)
InChIKeyLHITVKCJLHUERB-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The IUPAC name of N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (CID 20727712) is N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.
What is the SMILES notation for N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The canonical SMILES for N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is C=CC(=O)NC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The InChIKey is LHITVKCJLHUERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-13(17)16-12-7-10-6-11(12)15-9-4-3-8(5-9)14(10)15/h2,8-12,14-15H,1,3-7H2,(H,16,17).
What are the key properties of N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is sourced from PubChem (CID 20727712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).