N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine

C12H12N2O3 — CID 3067322

IUPACN-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine
SMILESCOc1cc2cc[nH]c2c2c1OCCC2=NO
InChIInChI=1S/C12H12N2O3/c1-16-9-6-7-2-4-13-11(7)10-8(14-15)3-5-17-12(9)10/h2,4,6,13,15H,3,5H2,1H3
InChIKeyUWKVYNNYMWVHHP-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.14
Rot. Bonds1

About N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine

N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine (PubChem CID 3067322) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine
PubChem CID3067322
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine
SMILESCOc1cc2cc[nH]c2c2c1OCCC2=NO
InChIInChI=1S/C12H12N2O3/c1-16-9-6-7-2-4-13-11(7)10-8(14-15)3-5-17-12(9)10/h2,4,6,13,15H,3,5H2,1H3
InChIKeyUWKVYNNYMWVHHP-UHFFFAOYSA-N
XLogP2.14
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.14
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

7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 119092048
5-methoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-10-one
CID 139391203
5-amino-8-methoxy-2,3-dihydrochromen-4-one
CID 4228364
N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine
CID 154104219
7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 142452031
7-methoxy-5-nitro-1H-indole
CID 10797804
6-methoxy-2,3-dihydro-1-benzofuran-7-thiol
CID 168942495
1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117284527
(5-methoxy-1H-indol-6-yl)boronic acid
CID 68543723
(4Z)-4-hydroxyimino-8,9-dimethyl-2,3-dihydro-1-benzoxepin-5-one
CID 82242049
5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 22403480

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine?
The IUPAC name of N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine (CID 3067322) is N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine?
The canonical SMILES for N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine is COc1cc2cc[nH]c2c2c1OCCC2=NO.
What is the InChIKey of N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine?
The InChIKey is UWKVYNNYMWVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-9-6-7-2-4-13-11(7)10-8(14-15)3-5-17-12(9)10/h2,4,6,13,15H,3,5H2,1H3.
What are the key properties of N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine?
N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine has a molecular weight of 232.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine is sourced from PubChem (CID 3067322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).