N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide

C14H21NO — CID 20727713

IUPACN-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1CCCCC21
InChIInChI=1S/C14H21NO/c1-2-14(16)15-13-8-9-7-12(13)11-6-4-3-5-10(9)11/h2,9-13H,1,3-8H2,(H,15,16)
InChIKeyALHCOUSXFWCMOZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds2

About N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide

N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide (PubChem CID 20727713) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide
PubChem CID20727713
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1CCCCC21
InChIInChI=1S/C14H21NO/c1-2-14(16)15-13-8-9-7-12(13)11-6-4-3-5-10(9)11/h2,9-13H,1,3-8H2,(H,15,16)
InChIKeyALHCOUSXFWCMOZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide?
The IUPAC name of N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide (CID 20727713) is N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide.
What is the SMILES notation for N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide?
The canonical SMILES for N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide is C=CC(=O)NC1CC2CC1C1CCCCC21.
What is the InChIKey of N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide?
The InChIKey is ALHCOUSXFWCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(16)15-13-8-9-7-12(13)11-6-4-3-5-10(9)11/h2,9-13H,1,3-8H2,(H,15,16).
What are the key properties of N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide?
N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide is sourced from PubChem (CID 20727713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).