prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate

C14H22N2O2 — CID 110192779

IUPACprop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate
SMILESC=C(C)OC(=O)NC1=NC2CC(C)(C)CC1(C)C2
InChIInChI=1S/C14H22N2O2/c1-9(2)18-12(17)16-11-14(5)7-10(15-11)6-13(3,4)8-14/h10H,1,6-8H2,2-5H3,(H,15,16,17)
InChIKeyYNCKRCYZDPSTQZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.24
Rot. Bonds1

About prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate

prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate (PubChem CID 110192779) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate
PubChem CID110192779
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameprop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate
SMILESC=C(C)OC(=O)NC1=NC2CC(C)(C)CC1(C)C2
InChIInChI=1S/C14H22N2O2/c1-9(2)18-12(17)16-11-14(5)7-10(15-11)6-13(3,4)8-14/h10H,1,6-8H2,2-5H3,(H,15,16,17)
InChIKeyYNCKRCYZDPSTQZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate (CID 110192779) is prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate is C=C(C)OC(=O)NC1=NC2CC(C)(C)CC1(C)C2.
What is the InChIKey of prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate?
The InChIKey is YNCKRCYZDPSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)18-12(17)16-11-14(5)7-10(15-11)6-13(3,4)8-14/h10H,1,6-8H2,2-5H3,(H,15,16,17).
What are the key properties of prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate?
prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-en-7-yl)carbamate is sourced from PubChem (CID 110192779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).