CID 100977429

C8H12NO2 — CID 100977429

IUPAC—
SMILESC[C@H]1CO[C@]2(C)CC=C([O])N12
InChIInChI=1S/C8H12NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h3,6H,4-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyBCPOWAQNPWFMIP-POYBYMJQSA-N
MW154.19 g/mol
LogP1.10
Rot. Bonds

About CID 100977429

CID 100977429 (PubChem CID 100977429) has the molecular formula C8H12NO2 and a molecular weight of 154.19 g/mol.

Molecular Properties

Compound NameCID 100977429
PubChem CID100977429
Molecular FormulaC8H12NO2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name—
SMILESC[C@H]1CO[C@]2(C)CC=C([O])N12
InChIInChI=1S/C8H12NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h3,6H,4-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyBCPOWAQNPWFMIP-POYBYMJQSA-N
XLogP1.10
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7aS)-3,3-dimethyl-5-[(trimethylsilyl)oxy]-1H,3H,7H,7aH-pyrrolo[1,2-c][1,3]oxazole
CID 131743945
(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
CID 139386487
3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
CID 139386488
(3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl)oxy-trimethylsilane
CID 173601938
(3S,7aR)-3,7a-dimethyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate
CID 15856712
(3S,7aR)-3,7a-dimethyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
CID 15856713
CID 100977430
CID 100977430
CID 100977431
CID 100977431
(3R,7aS)-3-methyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-olate
CID 100977668
(3R,7aS)-3-methyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
CID 100977669
(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 100977670
(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 100977671

Frequently Asked Questions

What is the IUPAC name of CID 100977429?
The IUPAC name of CID 100977429 (CID 100977429) is not available.
What is the SMILES notation for CID 100977429?
The canonical SMILES for CID 100977429 is C[C@H]1CO[C@]2(C)CC=C([O])N12.
What is the InChIKey of CID 100977429?
The InChIKey is BCPOWAQNPWFMIP-POYBYMJQSA-N. The full InChI is InChI=1S/C8H12NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h3,6H,4-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of CID 100977429?
CID 100977429 has a molecular weight of 154.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100977429 is sourced from PubChem (CID 100977429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).