N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine

C14H19NO3 — CID 10514759

IUPACN-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine
SMILESCO[C@@H]1O[C@H](C2(NO)CCCC2)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-17-13-11-7-3-2-6-10(11)12(18-13)14(15-16)8-4-5-9-14/h2-3,6-7,12-13,15-16H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyMNQJRMASJGMDAL-QWHCGFSZSA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds3

About N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine

N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine (PubChem CID 10514759) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine
PubChem CID10514759
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine
SMILESCO[C@@H]1O[C@H](C2(NO)CCCC2)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-17-13-11-7-3-2-6-10(11)12(18-13)14(15-16)8-4-5-9-14/h2-3,6-7,12-13,15-16H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyMNQJRMASJGMDAL-QWHCGFSZSA-N
XLogP2.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
CID 102351803
1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
CID 163445562
(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 101064560
methyl (1aS,7bS)-3,7b-dihydro-2H-naphtho[1,2-b]oxirene-1a-carboxylate
CID 125117119
1-methoxy-5,5-dimethyl-1,4-dihydro-2,3-benzodioxepin-4-ol
CID 10105022
methyl (3S)-spiro[3H-1-benzofuran-2,1'-cyclohexane]-3-carboxylate
CID 135058831
methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 123610795
methyl (2R,3S)-2-(2-chlorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 118151803
1,3-dimethoxy-1,3-dihydro-2-benzofuran-5-carboxylic acid
CID 59824659
dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate
CID 102242359
(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran
CID 11471215
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine?
The IUPAC name of N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine (CID 10514759) is N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine.
What is the SMILES notation for N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine?
The canonical SMILES for N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine is CO[C@@H]1O[C@H](C2(NO)CCCC2)c2ccccc21.
What is the InChIKey of N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine?
The InChIKey is MNQJRMASJGMDAL-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-11-7-3-2-6-10(11)12(18-13)14(15-16)8-4-5-9-14/h2-3,6-7,12-13,15-16H,4-5,8-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine?
N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine is sourced from PubChem (CID 10514759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).