N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide

C14H21NO — CID 58205345

IUPACN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC2CC1C1CCCC21
InChIInChI=1S/C14H21NO/c1-3-14(16)15(2)13-8-9-7-12(13)11-6-4-5-10(9)11/h3,9-13H,1,4-8H2,2H3
InChIKeyBBWQQCUSXPHGKK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds2

About N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide

N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide (PubChem CID 58205345) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
PubChem CID58205345
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC2CC1C1CCCC21
InChIInChI=1S/C14H21NO/c1-3-14(16)15(2)13-8-9-7-12(13)11-6-4-5-10(9)11/h3,9-13H,1,4-8H2,2H3
InChIKeyBBWQQCUSXPHGKK-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
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-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide (CID 58205345) is N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide is C=CC(=O)N(C)C1CC2CC1C1CCCC21.
What is the InChIKey of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The InChIKey is BBWQQCUSXPHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(16)15(2)13-8-9-7-12(13)11-6-4-5-10(9)11/h3,9-13H,1,4-8H2,2H3.
What are the key properties of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide is sourced from PubChem (CID 58205345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).