(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H22N2O2 — CID 107684225

IUPAC(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCCCN3CCCC3)ccc21
InChIInChI=1S/C16H22N2O2/c19-17-16-7-4-13-12-14(5-6-15(13)16)20-11-3-10-18-8-1-2-9-18/h5-6,12,19H,1-4,7-11H2/b17-16-
InChIKeyFMJBWFWBMLXQPP-MSUUIHNZSA-N
MW274.36 g/mol
LogP2.68
Rot. Bonds5

About (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 107684225) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID107684225
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCCCN3CCCC3)ccc21
InChIInChI=1S/C16H22N2O2/c19-17-16-7-4-13-12-14(5-6-15(13)16)20-11-3-10-18-8-1-2-9-18/h5-6,12,19H,1-4,7-11H2/b17-16-
InChIKeyFMJBWFWBMLXQPP-MSUUIHNZSA-N
XLogP2.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684290
1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
CID 107684371
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-2,2-dimethylhexanenitrile
CID 107684314
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
5-[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pentoxy]-2,3-dihydroinden-1-one
CID 69171676
1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
CID 142171774
2,7-bis[3-(azetidin-1-yl)propoxy]dibenzothiophene 5-oxide
CID 67163008
7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317763
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 107684225) is (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(OCCCN3CCCC3)ccc21.
What is the InChIKey of (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is FMJBWFWBMLXQPP-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-17-16-7-4-13-12-14(5-6-15(13)16)20-11-3-10-18-8-1-2-9-18/h5-6,12,19H,1-4,7-11H2/b17-16-.
What are the key properties of (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 274.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 107684225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).