propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate

C11H19NO2 — CID 130694028

IUPACpropan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
SMILESCC(C)OC(=O)NC1C2CCCCC21
InChIInChI=1S/C11H19NO2/c1-7(2)14-11(13)12-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyOYOWYWJYHZZDMF-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds2

About propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate

propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate (PubChem CID 130694028) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
PubChem CID130694028
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
SMILESCC(C)OC(=O)NC1C2CCCCC21
InChIInChI=1S/C11H19NO2/c1-7(2)14-11(13)12-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyOYOWYWJYHZZDMF-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116653938
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
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propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate
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propan-2-yl N-(2-methylcyclobutyl)carbamate
CID 126981468
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
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N-(8-bicyclo[5.1.0]octanyl)acetamide
CID 130011496
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
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propan-2-yl N-[(3S)-1-cyclopropylsulfonylazepan-3-yl]carbamate
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propan-2-yl N-cyclohex-3-en-1-ylcarbamate
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cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
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(2R,3S)-3-(propan-2-yloxycarbonylamino)piperidine-2-carboxylic acid
CID 57145967

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate?
The IUPAC name of propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate (CID 130694028) is propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate.
What is the SMILES notation for propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate?
The canonical SMILES for propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate is CC(C)OC(=O)NC1C2CCCCC21.
What is the InChIKey of propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate?
The InChIKey is OYOWYWJYHZZDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)14-11(13)12-10-8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate?
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate is sourced from PubChem (CID 130694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).