CID 100977431

C9H14NO2 — CID 100977431

IUPAC—
SMILESCC1(C)CN2C([O])=CC[C@@]2(C)O1
InChIInChI=1S/C9H14NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyMYYZHCWRGNNDHX-SECBINFHSA-N
MW168.22 g/mol
LogP1.49
Rot. Bonds

About CID 100977431

CID 100977431 (PubChem CID 100977431) has the molecular formula C9H14NO2 and a molecular weight of 168.22 g/mol.

Molecular Properties

Compound NameCID 100977431
PubChem CID100977431
Molecular FormulaC9H14NO2
Molecular Weight168.22 g/mol
Exact Mass168.10
IUPAC Name—
SMILESCC1(C)CN2C([O])=CC[C@@]2(C)O1
InChIInChI=1S/C9H14NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyMYYZHCWRGNNDHX-SECBINFHSA-N
XLogP1.49
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 100977431 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 100977431?
The IUPAC name of CID 100977431 (CID 100977431) is not available.
What is the SMILES notation for CID 100977431?
The canonical SMILES for CID 100977431 is CC1(C)CN2C([O])=CC[C@@]2(C)O1.
What is the InChIKey of CID 100977431?
The InChIKey is MYYZHCWRGNNDHX-SECBINFHSA-N. The full InChI is InChI=1S/C9H14NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4H,5-6H2,1-3H3/t9-/m1/s1.
What are the key properties of CID 100977431?
CID 100977431 has a molecular weight of 168.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100977431 is sourced from PubChem (CID 100977431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).