2-methyloct-2-enehydrazide

C9H18N2O — CID 174813130

IUPAC2-methyloct-2-enehydrazide
SMILESCCCCCC=C(C)C(=O)NN
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-7-8(2)9(12)11-10/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyRRSQRBRGAQKFBC-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.50
Rot. Bonds5

About 2-methyloct-2-enehydrazide

2-methyloct-2-enehydrazide (PubChem CID 174813130) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyloct-2-enehydrazide.

Molecular Properties

Compound Name2-methyloct-2-enehydrazide
PubChem CID174813130
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyloct-2-enehydrazide
SMILESCCCCCC=C(C)C(=O)NN
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-7-8(2)9(12)11-10/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyRRSQRBRGAQKFBC-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 2-methyloct-2-enehydrazide?
The IUPAC name of 2-methyloct-2-enehydrazide (CID 174813130) is 2-methyloct-2-enehydrazide.
What is the SMILES notation for 2-methyloct-2-enehydrazide?
The canonical SMILES for 2-methyloct-2-enehydrazide is CCCCCC=C(C)C(=O)NN.
What is the InChIKey of 2-methyloct-2-enehydrazide?
The InChIKey is RRSQRBRGAQKFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-6-7-8(2)9(12)11-10/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-methyloct-2-enehydrazide?
2-methyloct-2-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-2-enehydrazide is sourced from PubChem (CID 174813130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).