1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol

C15H19NO3 — CID 107684311

IUPAC1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
SMILESO/N=C1/CCc2cc(OCC3(O)CCCC3)ccc21
InChIInChI=1S/C15H19NO3/c17-15(7-1-2-8-15)10-19-12-4-5-13-11(9-12)3-6-14(13)16-18/h4-5,9,17-18H,1-3,6-8,10H2/b16-14-
InChIKeyFVVNULYTZFZKHF-PEZBUJJGSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds3

About 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol

1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol (PubChem CID 107684311) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
PubChem CID107684311
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
SMILESO/N=C1/CCc2cc(OCC3(O)CCCC3)ccc21
InChIInChI=1S/C15H19NO3/c17-15(7-1-2-8-15)10-19-12-4-5-13-11(9-12)3-6-14(13)16-18/h4-5,9,17-18H,1-3,6-8,10H2/b16-14-
InChIKeyFVVNULYTZFZKHF-PEZBUJJGSA-N
XLogP2.49
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684225
(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684290
(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684342
(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684360
1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
CID 77060370
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]benzonitrile
CID 107684287
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-2,2-dimethylhexanenitrile
CID 107684314

Frequently Asked Questions

What is the IUPAC name of 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol (CID 107684311) is 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol is O/N=C1/CCc2cc(OCC3(O)CCCC3)ccc21.
What is the InChIKey of 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol?
The InChIKey is FVVNULYTZFZKHF-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(7-1-2-8-15)10-19-12-4-5-13-11(9-12)3-6-14(13)16-18/h4-5,9,17-18H,1-3,6-8,10H2/b16-14-.
What are the key properties of 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol?
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 107684311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).