propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate

C12H23NO2 — CID 116656380

IUPACpropan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
SMILESCCC1CCC(NC(=O)OC(C)C)C1C
InChIInChI=1S/C12H23NO2/c1-5-10-6-7-11(9(10)4)13-12(14)15-8(2)3/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyKAYYRJXDJXQHFQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.95
Rot. Bonds3

About propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate

propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate (PubChem CID 116656380) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
PubChem CID116656380
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
SMILESCCC1CCC(NC(=O)OC(C)C)C1C
InChIInChI=1S/C12H23NO2/c1-5-10-6-7-11(9(10)4)13-12(14)15-8(2)3/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyKAYYRJXDJXQHFQ-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate?
The IUPAC name of propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate (CID 116656380) is propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate is CCC1CCC(NC(=O)OC(C)C)C1C.
What is the InChIKey of propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate?
The InChIKey is KAYYRJXDJXQHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10-6-7-11(9(10)4)13-12(14)15-8(2)3/h8-11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate?
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate is sourced from PubChem (CID 116656380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).