(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate

C17H21NO2 — CID 3125194

IUPAC(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate
SMILESC=C(C)C1CCC(C)=C1COC(=O)Nc1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(2)15-10-9-13(3)16(15)11-20-17(19)18-14-7-5-4-6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,18,19)
InChIKeyGEDFNLATXSUYOD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.54
Rot. Bonds4

About (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate

(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate (PubChem CID 3125194) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate
PubChem CID3125194
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate
SMILESC=C(C)C1CCC(C)=C1COC(=O)Nc1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(2)15-10-9-13(3)16(15)11-20-17(19)18-14-7-5-4-6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,18,19)
InChIKeyGEDFNLATXSUYOD-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate?
The IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate (CID 3125194) is (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate?
The canonical SMILES for (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate is C=C(C)C1CCC(C)=C1COC(=O)Nc1ccccc1.
What is the InChIKey of (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate?
The InChIKey is GEDFNLATXSUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)15-10-9-13(3)16(15)11-20-17(19)18-14-7-5-4-6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,18,19).
What are the key properties of (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate?
(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 3125194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).