N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

C16H24N2O2 — CID 142235985

IUPACN-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCC(CNC=O)C21
InChIInChI=1S/C16H24N2O2/c1-2-15(20)18-8-12-5-11-6-14(12)13-4-3-10(16(11)13)7-17-9-19/h2,9-14,16H,1,3-8H2,(H,17,19)(H,18,20)
InChIKeyQBHZURUGNSMFGH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.33
Rot. Bonds6

About N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (PubChem CID 142235985) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
PubChem CID142235985
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCC(CNC=O)C21
InChIInChI=1S/C16H24N2O2/c1-2-15(20)18-8-12-5-11-6-14(12)13-4-3-10(16(11)13)7-17-9-19/h2,9-14,16H,1,3-8H2,(H,17,19)(H,18,20)
InChIKeyQBHZURUGNSMFGH-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The IUPAC name of N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (CID 142235985) is N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is C=CC(=O)NCC1CC2CC1C1CCC(CNC=O)C21.
What is the InChIKey of N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The InChIKey is QBHZURUGNSMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15(20)18-8-12-5-11-6-14(12)13-4-3-10(16(11)13)7-17-9-19/h2,9-14,16H,1,3-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(formamidomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is sourced from PubChem (CID 142235985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).