1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide

C14H18N2O2 — CID 116847341

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C14H18N2O2/c1-15-16-13(17)14(6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyNJIPVGATBNLTIZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.29
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide

1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide (PubChem CID 116847341) 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)-N'-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
PubChem CID116847341
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C14H18N2O2/c1-15-16-13(17)14(6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyNJIPVGATBNLTIZ-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
CID 116846644
2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
CID 116849405
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
N'-methyl-1-(6-methylnaphthalen-2-yl)cyclopropane-1-carbohydrazide
CID 116847390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
CID 116846036
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide (CID 116847341) is 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide is CNNC(=O)C1(c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide?
The InChIKey is NJIPVGATBNLTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-16-13(17)14(6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide?
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.29, 3 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)-N'-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116847341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).