1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide

C14H18N2O2 — CID 116844327

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)CCCO3)CCC1
InChIInChI=1S/C14H18N2O2/c15-16-13(17)14(6-2-7-14)11-4-5-12-10(9-11)3-1-8-18-12/h4-5,9H,1-3,6-8,15H2,(H,16,17)
InChIKeySAWDBVHAJUZPEG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.42
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide

1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide (PubChem CID 116844327) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
PubChem CID116844327
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)CCCO3)CCC1
InChIInChI=1S/C14H18N2O2/c15-16-13(17)14(6-2-7-14)11-4-5-12-10(9-11)3-1-8-18-12/h4-5,9H,1-3,6-8,15H2,(H,16,17)
InChIKeySAWDBVHAJUZPEG-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
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

1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
CID 59636910
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide (CID 116844327) is 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide is NNC(=O)C1(c2ccc3c(c2)CCCO3)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide?
The InChIKey is SAWDBVHAJUZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-16-13(17)14(6-2-7-14)11-4-5-12-10(9-11)3-1-8-18-12/h4-5,9H,1-3,6-8,15H2,(H,16,17).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide?
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).