1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide

C14H18N2O3 — CID 116846036

IUPAC1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
SMILESCN(N)C(=O)C1(c2ccc3c(c2)OCCCO3)CC1
InChIInChI=1S/C14H18N2O3/c1-16(15)13(17)14(5-6-14)10-3-4-11-12(9-10)19-8-2-7-18-11/h3-4,9H,2,5-8,15H2,1H3
InChIKeyNCAKZVZEQFLRAH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds2

About 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide (PubChem CID 116846036) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
PubChem CID116846036
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
SMILESCN(N)C(=O)C1(c2ccc3c(c2)OCCCO3)CC1
InChIInChI=1S/C14H18N2O3/c1-16(15)13(17)14(5-6-14)10-3-4-11-12(9-10)19-8-2-7-18-11/h3-4,9H,2,5-8,15H2,1H3
InChIKeyNCAKZVZEQFLRAH-UHFFFAOYSA-N
XLogP1.21
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113198660
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopentane-1-carboxamide
CID 55742854
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 113198710
4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
CID 172907265
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide (CID 116846036) is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide is CN(N)C(=O)C1(c2ccc3c(c2)OCCCO3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide?
The InChIKey is NCAKZVZEQFLRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(15)13(17)14(5-6-14)10-3-4-11-12(9-10)19-8-2-7-18-11/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide?
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116846036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).