butyl N-(3-iodopropylidene)carbamate

C8H14INO2 — CID 57037484

IUPACbutyl N-(3-iodopropylidene)carbamate
SMILESCCCCOC(=O)N=CCCI
InChIInChI=1S/C8H14INO2/c1-2-3-7-12-8(11)10-6-4-5-9/h6H,2-5,7H2,1H3
InChIKeyZPFCRDQYOJZLHV-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.82
Rot. Bonds5

About butyl N-(3-iodopropylidene)carbamate

butyl N-(3-iodopropylidene)carbamate (PubChem CID 57037484) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is butyl N-(3-iodopropylidene)carbamate.

Molecular Properties

Compound Namebutyl N-(3-iodopropylidene)carbamate
PubChem CID57037484
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Namebutyl N-(3-iodopropylidene)carbamate
SMILESCCCCOC(=O)N=CCCI
InChIInChI=1S/C8H14INO2/c1-2-3-7-12-8(11)10-6-4-5-9/h6H,2-5,7H2,1H3
InChIKeyZPFCRDQYOJZLHV-UHFFFAOYSA-N
XLogP2.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.82
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

butyl 3-iodopropanoate
CID 21163188
butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 59984960
CID 159701402
CID 159701402
butyl hydrogen carbonate
CID 157271096
3-butoxypropyl butyl carbonate
CID 87247588
CID 57489595
CID 57489595
2-iodoethyl octyl carbonate
CID 15009140
butyl 3-amino-2-iodopropanoate
CID 166968304
butyl 2-triaconta-5,7,9,11,13,15-hexaynoxycarbonyliminoacetate
CID 139607333
butyl carbamate;hydrochloride
CID 88609650
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808

Frequently Asked Questions

What is the IUPAC name of butyl N-(3-iodopropylidene)carbamate?
The IUPAC name of butyl N-(3-iodopropylidene)carbamate (CID 57037484) is butyl N-(3-iodopropylidene)carbamate.
What is the SMILES notation for butyl N-(3-iodopropylidene)carbamate?
The canonical SMILES for butyl N-(3-iodopropylidene)carbamate is CCCCOC(=O)N=CCCI.
What is the InChIKey of butyl N-(3-iodopropylidene)carbamate?
The InChIKey is ZPFCRDQYOJZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-2-3-7-12-8(11)10-6-4-5-9/h6H,2-5,7H2,1H3.
What are the key properties of butyl N-(3-iodopropylidene)carbamate?
butyl N-(3-iodopropylidene)carbamate has a molecular weight of 283.11 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-iodopropylidene)carbamate is sourced from PubChem (CID 57037484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).