4-hydroxy-4-methylazepane-1-carbohydrazide

C8H17N3O2 — CID 107405919

IUPAC4-hydroxy-4-methylazepane-1-carbohydrazide
SMILESCC1(O)CCCN(C(=O)NN)CC1
InChIInChI=1S/C8H17N3O2/c1-8(13)3-2-5-11(6-4-8)7(12)10-9/h13H,2-6,9H2,1H3,(H,10,12)
InChIKeyGUTSZIIUXNOYJD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.19
Rot. Bonds

About 4-hydroxy-4-methylazepane-1-carbohydrazide

4-hydroxy-4-methylazepane-1-carbohydrazide (PubChem CID 107405919) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-4-methylazepane-1-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-4-methylazepane-1-carbohydrazide
PubChem CID107405919
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-hydroxy-4-methylazepane-1-carbohydrazide
SMILESCC1(O)CCCN(C(=O)NN)CC1
InChIInChI=1S/C8H17N3O2/c1-8(13)3-2-5-11(6-4-8)7(12)10-9/h13H,2-6,9H2,1H3,(H,10,12)
InChIKeyGUTSZIIUXNOYJD-UHFFFAOYSA-N
XLogP-0.19
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
N-butyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404101
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
ethyl 2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetate
CID 107405958
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
1-(4-hydroxy-4-methylazepan-1-yl)-2-sulfanylpropan-1-one
CID 107408928
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 107406143
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144324

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylazepane-1-carbohydrazide?
The IUPAC name of 4-hydroxy-4-methylazepane-1-carbohydrazide (CID 107405919) is 4-hydroxy-4-methylazepane-1-carbohydrazide.
What is the SMILES notation for 4-hydroxy-4-methylazepane-1-carbohydrazide?
The canonical SMILES for 4-hydroxy-4-methylazepane-1-carbohydrazide is CC1(O)CCCN(C(=O)NN)CC1.
What is the InChIKey of 4-hydroxy-4-methylazepane-1-carbohydrazide?
The InChIKey is GUTSZIIUXNOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(13)3-2-5-11(6-4-8)7(12)10-9/h13H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 4-hydroxy-4-methylazepane-1-carbohydrazide?
4-hydroxy-4-methylazepane-1-carbohydrazide has a molecular weight of 187.24 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylazepane-1-carbohydrazide is sourced from PubChem (CID 107405919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).