cyclopropyl N-butylcarbamate

C8H15NO2 — CID 165447718

IUPACcyclopropyl N-butylcarbamate
SMILESCCCCNC(=O)OC1CC1
InChIInChI=1S/C8H15NO2/c1-2-3-6-9-8(10)11-7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyCOQHIVGFIOGHTM-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.68
Rot. Bonds4

About cyclopropyl N-butylcarbamate

cyclopropyl N-butylcarbamate (PubChem CID 165447718) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cyclopropyl N-butylcarbamate.

Molecular Properties

Compound Namecyclopropyl N-butylcarbamate
PubChem CID165447718
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecyclopropyl N-butylcarbamate
SMILESCCCCNC(=O)OC1CC1
InChIInChI=1S/C8H15NO2/c1-2-3-6-9-8(10)11-7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyCOQHIVGFIOGHTM-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
piperidin-3-yl N-butylcarbamate
CID 68747208
cyclopentyl N-(3-propylsulfanylpropyl)carbamate
CID 141077176
cyclopropyl N-(2-aminoethyl)carbamate
CID 105428634
phosphanyl N-butylcarbamate
CID 89204581
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365
(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542065
[(2S)-2-bicyclo[2.2.1]heptanyl] N-butylcarbamate
CID 46700884
(3-aminocyclopentyl) N-propylcarbamate
CID 79464809
ethane;(2-ethylcyclopropyl) N-butylcarbamate
CID 144521801
cyclobutyl N-(4-methylpentyl)carbamate
CID 164797189
nonylcarbamoperoxoic acid
CID 140999734

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-butylcarbamate?
The IUPAC name of cyclopropyl N-butylcarbamate (CID 165447718) is cyclopropyl N-butylcarbamate.
What is the SMILES notation for cyclopropyl N-butylcarbamate?
The canonical SMILES for cyclopropyl N-butylcarbamate is CCCCNC(=O)OC1CC1.
What is the InChIKey of cyclopropyl N-butylcarbamate?
The InChIKey is COQHIVGFIOGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-6-9-8(10)11-7-4-5-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of cyclopropyl N-butylcarbamate?
cyclopropyl N-butylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-butylcarbamate is sourced from PubChem (CID 165447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).