propyl N-(3-iodoprop-1-ynyl)carbamate

C7H10INO2 — CID 166064539

IUPACpropyl N-(3-iodoprop-1-ynyl)carbamate
SMILESCCCOC(=O)NC#CCI
InChIInChI=1S/C7H10INO2/c1-2-6-11-7(10)9-5-3-4-8/h2,4,6H2,1H3,(H,9,10)
InChIKeyYDLQWFNSPKYZFA-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.52
Rot. Bonds2

About propyl N-(3-iodoprop-1-ynyl)carbamate

propyl N-(3-iodoprop-1-ynyl)carbamate (PubChem CID 166064539) has the molecular formula C7H10INO2 and a molecular weight of 267.07 g/mol. Its IUPAC name is propyl N-(3-iodoprop-1-ynyl)carbamate.

Molecular Properties

Compound Namepropyl N-(3-iodoprop-1-ynyl)carbamate
PubChem CID166064539
Molecular FormulaC7H10INO2
Molecular Weight267.07 g/mol
Exact Mass266.98
IUPAC Namepropyl N-(3-iodoprop-1-ynyl)carbamate
SMILESCCCOC(=O)NC#CCI
InChIInChI=1S/C7H10INO2/c1-2-6-11-7(10)9-5-3-4-8/h2,4,6H2,1H3,(H,9,10)
InChIKeyYDLQWFNSPKYZFA-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

butyl N-prop-1-ynylcarbamate;hydroiodide
CID 87369436
butane;propyl N-hydroxycarbamate
CID 174767978
ethane;propyl N-methylcarbamate
CID 142560404
propyl N-iodosulfonylcarbamate
CID 89299512
propyl N-(dihydroxymethyl)carbamate
CID 174469306
propyl N-(methoxymethyl)carbamate
CID 142704391
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
magnesium propyl carbonate
CID 22154995
calcium propyl carbonate
CID 158672692
propyl N-trimethoxysilylcarbamate
CID 91603083
propyl N-(2-chloroacetyl)carbamate
CID 57133881
propyl N-(2-methylpropyl)carbamate
CID 91192078

Frequently Asked Questions

What is the IUPAC name of propyl N-(3-iodoprop-1-ynyl)carbamate?
The IUPAC name of propyl N-(3-iodoprop-1-ynyl)carbamate (CID 166064539) is propyl N-(3-iodoprop-1-ynyl)carbamate.
What is the SMILES notation for propyl N-(3-iodoprop-1-ynyl)carbamate?
The canonical SMILES for propyl N-(3-iodoprop-1-ynyl)carbamate is CCCOC(=O)NC#CCI.
What is the InChIKey of propyl N-(3-iodoprop-1-ynyl)carbamate?
The InChIKey is YDLQWFNSPKYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO2/c1-2-6-11-7(10)9-5-3-4-8/h2,4,6H2,1H3,(H,9,10).
What are the key properties of propyl N-(3-iodoprop-1-ynyl)carbamate?
propyl N-(3-iodoprop-1-ynyl)carbamate has a molecular weight of 267.07 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3-iodoprop-1-ynyl)carbamate is sourced from PubChem (CID 166064539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).