butyl N-prop-1-ynylcarbamate;hydroiodide

C8H14INO2 — CID 87369436

IUPACbutyl N-prop-1-ynylcarbamate;hydroiodide
SMILESCC#CNC(=O)OCCCC.I
InChIInChI=1S/C8H13NO2.HI/c1-3-5-7-11-8(10)9-6-4-2;/h3,5,7H2,1-2H3,(H,9,10);1H
InChIKeyXNCGLFADTOAXTR-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.11
Rot. Bonds3

About butyl N-prop-1-ynylcarbamate;hydroiodide

butyl N-prop-1-ynylcarbamate;hydroiodide (PubChem CID 87369436) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is butyl N-prop-1-ynylcarbamate;hydroiodide.

Molecular Properties

Compound Namebutyl N-prop-1-ynylcarbamate;hydroiodide
PubChem CID87369436
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Namebutyl N-prop-1-ynylcarbamate;hydroiodide
SMILESCC#CNC(=O)OCCCC.I
InChIInChI=1S/C8H13NO2.HI/c1-3-5-7-11-8(10)9-6-4-2;/h3,5,7H2,1-2H3,(H,9,10);1H
InChIKeyXNCGLFADTOAXTR-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxycarbonylcarbamic acid
CID 22136826
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
propyl N-(3-iodoprop-1-ynyl)carbamate
CID 166064539
butyl carbamate;hydroiodide
CID 161347358
butyl N-(1-aminoethyl)carbamate
CID 87930052
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
butyl N-chlorosulfonylcarbamate
CID 55279204
butyl N-(2-amino-2-oxoethoxy)carbamate
CID 54092623

Frequently Asked Questions

What is the IUPAC name of butyl N-prop-1-ynylcarbamate;hydroiodide?
The IUPAC name of butyl N-prop-1-ynylcarbamate;hydroiodide (CID 87369436) is butyl N-prop-1-ynylcarbamate;hydroiodide.
What is the SMILES notation for butyl N-prop-1-ynylcarbamate;hydroiodide?
The canonical SMILES for butyl N-prop-1-ynylcarbamate;hydroiodide is CC#CNC(=O)OCCCC.I.
What is the InChIKey of butyl N-prop-1-ynylcarbamate;hydroiodide?
The InChIKey is XNCGLFADTOAXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.HI/c1-3-5-7-11-8(10)9-6-4-2;/h3,5,7H2,1-2H3,(H,9,10);1H.
What are the key properties of butyl N-prop-1-ynylcarbamate;hydroiodide?
butyl N-prop-1-ynylcarbamate;hydroiodide has a molecular weight of 283.11 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-prop-1-ynylcarbamate;hydroiodide is sourced from PubChem (CID 87369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).