CID 101002342

C9H13O — CID 101002342

IUPAC—
SMILESC=C[CH]CC1CCCC1=O
InChIInChI=1S/C9H13O/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8H,1,4-7H2
InChIKeyGEMUHRCRFYYEPW-UHFFFAOYSA-N
MW137.20 g/mol
LogP2.14
Rot. Bonds3

About CID 101002342

CID 101002342 (PubChem CID 101002342) has the molecular formula C9H13O and a molecular weight of 137.20 g/mol.

Molecular Properties

Compound NameCID 101002342
PubChem CID101002342
Molecular FormulaC9H13O
Molecular Weight137.20 g/mol
Exact Mass137.10
IUPAC Name—
SMILESC=C[CH]CC1CCCC1=O
InChIInChI=1S/C9H13O/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8H,1,4-7H2
InChIKeyGEMUHRCRFYYEPW-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 101002342?
The IUPAC name of CID 101002342 (CID 101002342) is not available.
What is the SMILES notation for CID 101002342?
The canonical SMILES for CID 101002342 is C=C[CH]CC1CCCC1=O.
What is the InChIKey of CID 101002342?
The InChIKey is GEMUHRCRFYYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8H,1,4-7H2.
What are the key properties of CID 101002342?
CID 101002342 has a molecular weight of 137.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101002342 is sourced from PubChem (CID 101002342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).