cyclopropyl N-(2-methylbutan-2-yl)carbamate

C9H17NO2 — CID 165444750

IUPACcyclopropyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC1CC1
InChIInChI=1S/C9H17NO2/c1-4-9(2,3)10-8(11)12-7-5-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyYZAKAEUDJZUYIY-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.06
Rot. Bonds3

About cyclopropyl N-(2-methylbutan-2-yl)carbamate

cyclopropyl N-(2-methylbutan-2-yl)carbamate (PubChem CID 165444750) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclopropyl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Namecyclopropyl N-(2-methylbutan-2-yl)carbamate
PubChem CID165444750
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclopropyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC1CC1
InChIInChI=1S/C9H17NO2/c1-4-9(2,3)10-8(11)12-7-5-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyYZAKAEUDJZUYIY-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of cyclopropyl N-(2-methylbutan-2-yl)carbamate (CID 165444750) is cyclopropyl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for cyclopropyl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for cyclopropyl N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OC1CC1.
What is the InChIKey of cyclopropyl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is YZAKAEUDJZUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(2,3)10-8(11)12-7-5-6-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of cyclopropyl N-(2-methylbutan-2-yl)carbamate?
cyclopropyl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 165444750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).