[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate

C10H16INO3 — CID 175397149

IUPAC[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate
SMILESNC(=O)O[C@H](C(=O)CI)C1CCCCC1
InChIInChI=1S/C10H16INO3/c11-6-8(13)9(15-10(12)14)7-4-2-1-3-5-7/h7,9H,1-6H2,(H2,12,14)/t9-/m0/s1
InChIKeyBIKFSVZYKQGNQE-VIFPVBQESA-N
MW325.15 g/mol
LogP2.03
Rot. Bonds4

About [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate

[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate (PubChem CID 175397149) has the molecular formula C10H16INO3 and a molecular weight of 325.15 g/mol. Its IUPAC name is [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate
PubChem CID175397149
Molecular FormulaC10H16INO3
Molecular Weight325.15 g/mol
Exact Mass325.02
IUPAC Name[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate
SMILESNC(=O)O[C@H](C(=O)CI)C1CCCCC1
InChIInChI=1S/C10H16INO3/c11-6-8(13)9(15-10(12)14)7-4-2-1-3-5-7/h7,9H,1-6H2,(H2,12,14)/t9-/m0/s1
InChIKeyBIKFSVZYKQGNQE-VIFPVBQESA-N
XLogP2.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
CID 175528009
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
CID 175449330
[(2S,3R)-1-cyclohexyl-3-hydroxypent-4-en-2-yl] carbamate
CID 67723480
2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
(2-cyclohexyl-2-iodoethyl) hydrogen carbonate
CID 68655072
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
CID 67799084

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate?
The IUPAC name of [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate (CID 175397149) is [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate.
What is the SMILES notation for [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate?
The canonical SMILES for [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate is NC(=O)O[C@H](C(=O)CI)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate?
The InChIKey is BIKFSVZYKQGNQE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16INO3/c11-6-8(13)9(15-10(12)14)7-4-2-1-3-5-7/h7,9H,1-6H2,(H2,12,14)/t9-/m0/s1.
What are the key properties of [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate?
[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate has a molecular weight of 325.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate is sourced from PubChem (CID 175397149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).