1-iodoprop-2-enylcarbamic acid

C4H6INO2 — CID 87639601

IUPAC1-iodoprop-2-enylcarbamic acid
SMILESC=CC(I)NC(=O)O
InChIInChI=1S/C4H6INO2/c1-2-3(5)6-4(7)8/h2-3,6H,1H2,(H,7,8)
InChIKeyZLYNAMBEEQHTIT-UHFFFAOYSA-N
MW227.00 g/mol
LogP1.20
Rot. Bonds2

About 1-iodoprop-2-enylcarbamic acid

1-iodoprop-2-enylcarbamic acid (PubChem CID 87639601) has the molecular formula C4H6INO2 and a molecular weight of 227.00 g/mol. Its IUPAC name is 1-iodoprop-2-enylcarbamic acid.

Molecular Properties

Compound Name1-iodoprop-2-enylcarbamic acid
PubChem CID87639601
Molecular FormulaC4H6INO2
Molecular Weight227.00 g/mol
Exact Mass226.94
IUPAC Name1-iodoprop-2-enylcarbamic acid
SMILESC=CC(I)NC(=O)O
InChIInChI=1S/C4H6INO2/c1-2-3(5)6-4(7)8/h2-3,6H,1H2,(H,7,8)
InChIKeyZLYNAMBEEQHTIT-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.00
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-methylpent-1-en-3-ylcarbamic acid
CID 87278563
1-iodopropylcarbamic acid;hydroiodide
CID 88765505
2-(1-carboxyprop-2-enylamino)but-3-enoic acid
CID 66821518
pent-4-en-2-ylcarbamic acid
CID 146626901
2-(methoxycarbonylamino)but-3-enoic acid
CID 14135910
disodium bis(N-(1-carboxyprop-2-enyl)carbamodithioate)
CID 173420404
2-[(2,2,2-trifluoroacetyl)amino]but-3-enoic acid
CID 10352669
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
non-8-en-2-ylcarbamic acid
CID 175945835
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
(2S)-2-bromo-2-iodoacetic acid
CID 95858521
1-(3-chlorophenyl)prop-2-enylcarbamic acid
CID 89405869

Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-2-enylcarbamic acid?
The IUPAC name of 1-iodoprop-2-enylcarbamic acid (CID 87639601) is 1-iodoprop-2-enylcarbamic acid.
What is the SMILES notation for 1-iodoprop-2-enylcarbamic acid?
The canonical SMILES for 1-iodoprop-2-enylcarbamic acid is C=CC(I)NC(=O)O.
What is the InChIKey of 1-iodoprop-2-enylcarbamic acid?
The InChIKey is ZLYNAMBEEQHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO2/c1-2-3(5)6-4(7)8/h2-3,6H,1H2,(H,7,8).
What are the key properties of 1-iodoprop-2-enylcarbamic acid?
1-iodoprop-2-enylcarbamic acid has a molecular weight of 227.00 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-2-enylcarbamic acid is sourced from PubChem (CID 87639601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).