CID 58186857

C8H16NO2 — CID 58186857

IUPAC—
SMILESCC[CH]NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16NO2/c1-5-6-9-7(10)11-8(2,3)4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyGPRBPUDLKPFGBG-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.08
Rot. Bonds2

About CID 58186857

CID 58186857 (PubChem CID 58186857) has the molecular formula C8H16NO2 and a molecular weight of 158.22 g/mol.

Molecular Properties

Compound NameCID 58186857
PubChem CID58186857
Molecular FormulaC8H16NO2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name—
SMILESCC[CH]NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16NO2/c1-5-6-9-7(10)11-8(2,3)4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyGPRBPUDLKPFGBG-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
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ethyl (E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
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tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
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tert-butyl N-propanoylcarbamate;molecular fluorine
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tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
2-aminoacetic acid;tert-butyl N-ethenylcarbamate
CID 87790423
tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
CID 149434182
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[1-(propylideneamino)ethenyl]carbamate
CID 174088644
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225

Frequently Asked Questions

What is the IUPAC name of CID 58186857?
The IUPAC name of CID 58186857 (CID 58186857) is not available.
What is the SMILES notation for CID 58186857?
The canonical SMILES for CID 58186857 is CC[CH]NC(=O)OC(C)(C)C.
What is the InChIKey of CID 58186857?
The InChIKey is GPRBPUDLKPFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-5-6-9-7(10)11-8(2,3)4/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of CID 58186857?
CID 58186857 has a molecular weight of 158.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58186857 is sourced from PubChem (CID 58186857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).