2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine

C11H14N4O — CID 79368772

IUPAC2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
SMILESCOc1ccc2c(c1)C(=NN=C(N)N)CC2
InChIInChI=1S/C11H14N4O/c1-16-8-4-2-7-3-5-10(9(7)6-8)14-15-11(12)13/h2,4,6H,3,5H2,1H3,(H4,12,13,15)
InChIKeyULLPBGHPZMRVSH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.62
Rot. Bonds2

About 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine

2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine (PubChem CID 79368772) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
PubChem CID79368772
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
SMILESCOc1ccc2c(c1)C(=NN=C(N)N)CC2
InChIInChI=1S/C11H14N4O/c1-16-8-4-2-7-3-5-10(9(7)6-8)14-15-11(12)13/h2,4,6H,3,5H2,1H3,(H4,12,13,15)
InChIKeyULLPBGHPZMRVSH-UHFFFAOYSA-N
XLogP0.62
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroinden-1-ylideneamino)guanidine
CID 639266
[(Z)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino] methanesulfonate
CID 86723699
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 154862519
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one
CID 130407306
3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 10016178
tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate
CID 67498547
2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethanamine
CID 54094556
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
CID 66869542

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The IUPAC name of 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine (CID 79368772) is 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine is COc1ccc2c(c1)C(=NN=C(N)N)CC2.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The InChIKey is ULLPBGHPZMRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-8-4-2-7-3-5-10(9(7)6-8)14-15-11(12)13/h2,4,6H,3,5H2,1H3,(H4,12,13,15).
What are the key properties of 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine has a molecular weight of 218.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine is sourced from PubChem (CID 79368772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).