CID 163579114

C4H7INO- — CID 163579114

IUPAC—
SMILESNC(=O)CC1C[I-]1
InChIInChI=1S/C4H7INO/c6-4(7)1-3-2-5-3/h3H,1-2H2,(H2,6,7)/q-1
InChIKeyLETVAGQWEUGBAN-UHFFFAOYSA-N
MW212.01 g/mol
LogP-3.67
Rot. Bonds2

About CID 163579114

CID 163579114 (PubChem CID 163579114) has the molecular formula C4H7INO- and a molecular weight of 212.01 g/mol.

Molecular Properties

Compound NameCID 163579114
PubChem CID163579114
Molecular FormulaC4H7INO-
Molecular Weight212.01 g/mol
Exact Mass211.96
IUPAC Name—
SMILESNC(=O)CC1C[I-]1
InChIInChI=1S/C4H7INO/c6-4(7)1-3-2-5-3/h3H,1-2H2,(H2,6,7)/q-1
InChIKeyLETVAGQWEUGBAN-UHFFFAOYSA-N
XLogP-3.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 5-3.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclodecylacetamide
CID 150110792
2-(dioxolan-4-yl)acetamide
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2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
2-(3-methylcyclobutyl)acetamide
CID 145484105
2-(1,3-thiazolidin-4-yl)acetamide
CID 139972017
2-[(2S,5S,8S,11S)-2,5,8,11-tetrakis(2-amino-2-oxoethyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 150742952
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
(3R)-2-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 66899489
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774074
2-cyclohepta-2,4,6-trien-1-ylacetamide
CID 55288601
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838

Frequently Asked Questions

What is the IUPAC name of CID 163579114?
The IUPAC name of CID 163579114 (CID 163579114) is not available.
What is the SMILES notation for CID 163579114?
The canonical SMILES for CID 163579114 is NC(=O)CC1C[I-]1.
What is the InChIKey of CID 163579114?
The InChIKey is LETVAGQWEUGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7INO/c6-4(7)1-3-2-5-3/h3H,1-2H2,(H2,6,7)/q-1.
What are the key properties of CID 163579114?
CID 163579114 has a molecular weight of 212.01 g/mol, XLogP of -3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163579114 is sourced from PubChem (CID 163579114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).