2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

C15H20N2O2 — CID 77071229

IUPAC2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COc2ccc3c(c2)CCC3)CC1)=NO
InChIInChI=1S/C15H20N2O2/c16-14(17-18)9-15(6-7-15)10-19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8,18H,1-3,6-7,9-10H2,(H2,16,17)
InChIKeyVZMDIOMBRCHUIP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071229) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071229
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COc2ccc3c(c2)CCC3)CC1)=NO
InChIInChI=1S/C15H20N2O2/c16-14(17-18)9-15(6-7-15)10-19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8,18H,1-3,6-7,9-10H2,(H2,16,17)
InChIKeyVZMDIOMBRCHUIP-UHFFFAOYSA-N
XLogP2.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
N'-hydroxy-2-[1-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77070891
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77071143
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
2-[1-[(5-bromo-2-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114673616
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (CID 77071229) is 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(COc2ccc3c(c2)CCC3)CC1)=NO.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is VZMDIOMBRCHUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14(17-18)9-15(6-7-15)10-19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8,18H,1-3,6-7,9-10H2,(H2,16,17).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 260.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).