CID 100977430

C7H10NO2 — CID 100977430

IUPAC—
SMILESC[C@H]1OC[C@@H]2CC=C([O])N21
InChIInChI=1S/C7H10NO2/c1-5-8-6(4-10-5)2-3-7(8)9/h3,5-6H,2,4H2,1H3/t5-,6+/m1/s1
InChIKeyQWSFMPQUUYVJTC-RITPCOANSA-N
MW140.16 g/mol
LogP0.71
Rot. Bonds

About CID 100977430

CID 100977430 (PubChem CID 100977430) has the molecular formula C7H10NO2 and a molecular weight of 140.16 g/mol.

Molecular Properties

Compound NameCID 100977430
PubChem CID100977430
Molecular FormulaC7H10NO2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name—
SMILESC[C@H]1OC[C@@H]2CC=C([O])N21
InChIInChI=1S/C7H10NO2/c1-5-8-6(4-10-5)2-3-7(8)9/h3,5-6H,2,4H2,1H3/t5-,6+/m1/s1
InChIKeyQWSFMPQUUYVJTC-RITPCOANSA-N
XLogP0.71
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 50.71
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 100977429
CID 100977429
(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
lithium (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101225110
lithium (3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101337692
(3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 101337693

Frequently Asked Questions

What is the IUPAC name of CID 100977430?
The IUPAC name of CID 100977430 (CID 100977430) is not available.
What is the SMILES notation for CID 100977430?
The canonical SMILES for CID 100977430 is C[C@H]1OC[C@@H]2CC=C([O])N21.
What is the InChIKey of CID 100977430?
The InChIKey is QWSFMPQUUYVJTC-RITPCOANSA-N. The full InChI is InChI=1S/C7H10NO2/c1-5-8-6(4-10-5)2-3-7(8)9/h3,5-6H,2,4H2,1H3/t5-,6+/m1/s1.
What are the key properties of CID 100977430?
CID 100977430 has a molecular weight of 140.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100977430 is sourced from PubChem (CID 100977430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).