5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

C12H18N4O — CID 130303341

IUPAC5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESNNc1nc2c([nH]c1=O)CCCC2CC1CC1
InChIInChI=1S/C12H18N4O/c13-16-11-12(17)14-9-3-1-2-8(10(9)15-11)6-7-4-5-7/h7-8H,1-6,13H2,(H,14,17)(H,15,16)
InChIKeyXPDSUQZUFVCLOC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

About 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (PubChem CID 130303341) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
PubChem CID130303341
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
SMILESNNc1nc2c([nH]c1=O)CCCC2CC1CC1
InChIInChI=1S/C12H18N4O/c13-16-11-12(17)14-9-3-1-2-8(10(9)15-11)6-7-4-5-7/h7-8H,1-6,13H2,(H,14,17)(H,15,16)
InChIKeyXPDSUQZUFVCLOC-UHFFFAOYSA-N
XLogP1.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The IUPAC name of 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (CID 130303341) is 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The canonical SMILES for 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is NNc1nc2c([nH]c1=O)CCCC2CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
The InChIKey is XPDSUQZUFVCLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-16-11-12(17)14-9-3-1-2-8(10(9)15-11)6-7-4-5-7/h7-8H,1-6,13H2,(H,14,17)(H,15,16).
What are the key properties of 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?
5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 130303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).