(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine

C12H13NO2 — CID 14234823

IUPAC(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc3c(cc21)CCO3
InChIInChI=1S/C12H13NO2/c14-13-11-3-1-2-8-7-12-9(4-5-15-12)6-10(8)11/h6-7,14H,1-5H2/b13-11+
InChIKeyIKJGRQHLMIQVCA-ACCUITESSA-N
MW203.24 g/mol
LogP2.14
Rot. Bonds

About (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine

(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine (PubChem CID 14234823) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine
PubChem CID14234823
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc3c(cc21)CCO3
InChIInChI=1S/C12H13NO2/c14-13-11-3-1-2-8-7-12-9(4-5-15-12)6-10(8)11/h6-7,14H,1-5H2/b13-11+
InChIKeyIKJGRQHLMIQVCA-ACCUITESSA-N
XLogP2.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 14976592
N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85168122
(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 52983831
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 153262456
3,5,6,7-tetrahydro-2H-furo[3,2-h][1]benzoxepin-8-one
CID 609166
9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
CID 71336504
(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 24808609
(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 12699412
(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 119092048
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
6-chloro-2,3-dihydrofuro[3,2-c]pyridine
CID 10725593
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine (CID 14234823) is (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine is O/N=C1\CCCc2cc3c(cc21)CCO3.
What is the InChIKey of (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine?
The InChIKey is IKJGRQHLMIQVCA-ACCUITESSA-N. The full InChI is InChI=1S/C12H13NO2/c14-13-11-3-1-2-8-7-12-9(4-5-15-12)6-10(8)11/h6-7,14H,1-5H2/b13-11+.
What are the key properties of (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine?
(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine has a molecular weight of 203.24 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine is sourced from PubChem (CID 14234823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).