butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate

C10H18BrNO2 — CID 142668376

IUPACbutyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C1(CBr)CC1
InChIInChI=1S/C10H18BrNO2/c1-3-4-7-14-9(13)12(2)10(8-11)5-6-10/h3-8H2,1-2H3
InChIKeyFIBGGHRNXFKBNG-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.78
Rot. Bonds5

About butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate

butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate (PubChem CID 142668376) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate
PubChem CID142668376
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Namebutyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C1(CBr)CC1
InChIInChI=1S/C10H18BrNO2/c1-3-4-7-14-9(13)12(2)10(8-11)5-6-10/h3-8H2,1-2H3
InChIKeyFIBGGHRNXFKBNG-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate?
The IUPAC name of butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate (CID 142668376) is butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate.
What is the SMILES notation for butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate?
The canonical SMILES for butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate is CCCCOC(=O)N(C)C1(CBr)CC1.
What is the InChIKey of butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate?
The InChIKey is FIBGGHRNXFKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-3-4-7-14-9(13)12(2)10(8-11)5-6-10/h3-8H2,1-2H3.
What are the key properties of butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate?
butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate has a molecular weight of 264.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(bromomethyl)cyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 142668376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).