(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide

C7H12INO2 — CID 137393180

IUPAC(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide
SMILESCC(C=O)CCC(=O)N(C)I
InChIInChI=1S/C7H12INO2/c1-6(5-10)3-4-7(11)9(2)8/h5-6H,3-4H2,1-2H3
InChIKeyCOMOYHPWIGNTJE-UHFFFAOYSA-N
MW269.08 g/mol
LogP1.41
Rot. Bonds4

About (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide

(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide (PubChem CID 137393180) has the molecular formula C7H12INO2 and a molecular weight of 269.08 g/mol. Its IUPAC name is (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide.

Molecular Properties

Compound Name(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide
PubChem CID137393180
Molecular FormulaC7H12INO2
Molecular Weight269.08 g/mol
Exact Mass268.99
IUPAC Name(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide
SMILESCC(C=O)CCC(=O)N(C)I
InChIInChI=1S/C7H12INO2/c1-6(5-10)3-4-7(11)9(2)8/h5-6H,3-4H2,1-2H3
InChIKeyCOMOYHPWIGNTJE-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
(E)-2-methyl-5,8-dioxonon-6-enal
CID 58435612
2-methyl-5-oxooctanal
CID 155026119
2-methyl-6-oxoheptanal
CID 14561323
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
CID 163561617
methyl 4-methyl-5-oxopentanoate;methyl 6-oxohexanoate
CID 159888667
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
CID 90877548
2,6,10-trimethyl-5-oxoundec-9-enal
CID 101143441
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
methyl 6-methyl-7-oxoheptanoate
CID 19897350
(2S)-6-hydroxy-2-methylhexanal
CID 129362666

Frequently Asked Questions

What is the IUPAC name of (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide?
The IUPAC name of (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide (CID 137393180) is (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide.
What is the SMILES notation for (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide?
The canonical SMILES for (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide is CC(C=O)CCC(=O)N(C)I.
What is the InChIKey of (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide?
The InChIKey is COMOYHPWIGNTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2/c1-6(5-10)3-4-7(11)9(2)8/h5-6H,3-4H2,1-2H3.
What are the key properties of (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide?
(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide has a molecular weight of 269.08 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-iodo-N,4-dimethyl-5-oxopentanamide is sourced from PubChem (CID 137393180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).