1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide

C14H20N2O — CID 116844123

IUPAC1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCC(C)Cc1ccc(C2(C(=O)NN)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)9-11-3-5-12(6-4-11)14(7-8-14)13(17)16-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyHHHKXBPIPMADCU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide

1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 116844123) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
PubChem CID116844123
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCC(C)Cc1ccc(C2(C(=O)NN)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)9-11-3-5-12(6-4-11)14(7-8-14)13(17)16-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyHHHKXBPIPMADCU-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
CID 116844192
4-(4-propylphenyl)oxane-4-carbohydrazide
CID 116844573
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822174
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide (CID 116844123) is 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide is CC(C)Cc1ccc(C2(C(=O)NN)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is HHHKXBPIPMADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)9-11-3-5-12(6-4-11)14(7-8-14)13(17)16-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide?
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 232.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 116844123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).