CID 58564299

C7H10N2O — CID 58564299

IUPAC—
SMILES[CH]n1ccn(C(C)C)c1=O
InChIInChI=1S/C7H10N2O/c1-6(2)9-5-4-8(3)7(9)10/h3-6H,1-2H3
InChIKeyVVWNAKZIQZMWOW-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.75
Rot. Bonds1

About CID 58564299

CID 58564299 (PubChem CID 58564299) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol.

Molecular Properties

Compound NameCID 58564299
PubChem CID58564299
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name—
SMILES[CH]n1ccn(C(C)C)c1=O
InChIInChI=1S/C7H10N2O/c1-6(2)9-5-4-8(3)7(9)10/h3-6H,1-2H3
InChIKeyVVWNAKZIQZMWOW-UHFFFAOYSA-N
XLogP0.75
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58564299?
The IUPAC name of CID 58564299 (CID 58564299) is not available.
What is the SMILES notation for CID 58564299?
The canonical SMILES for CID 58564299 is [CH]n1ccn(C(C)C)c1=O.
What is the InChIKey of CID 58564299?
The InChIKey is VVWNAKZIQZMWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(2)9-5-4-8(3)7(9)10/h3-6H,1-2H3.
What are the key properties of CID 58564299?
CID 58564299 has a molecular weight of 138.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58564299 is sourced from PubChem (CID 58564299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).