1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine

C12H15NO — CID 105443737

IUPAC1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
SMILESCOc1cccc2c1C(C1(N)CC1)C2
InChIInChI=1S/C12H15NO/c1-14-10-4-2-3-8-7-9(11(8)10)12(13)5-6-12/h2-4,9H,5-7,13H2,1H3
InChIKeyUMCDAPDWQQLFMD-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.83
Rot. Bonds2

About 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine

1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine (PubChem CID 105443737) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
PubChem CID105443737
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
SMILESCOc1cccc2c1C(C1(N)CC1)C2
InChIInChI=1S/C12H15NO/c1-14-10-4-2-3-8-7-9(11(8)10)12(13)5-6-12/h2-4,9H,5-7,13H2,1H3
InChIKeyUMCDAPDWQQLFMD-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine with MolForge

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Related Compounds

7-methoxy-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
CID 83830365
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
methyl 4-[(2-amino-7-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]butanoate
CID 166125910
3-[(2-amino-7-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125917
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
CID 83860757
7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84736877
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine (CID 105443737) is 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine is COc1cccc2c1C(C1(N)CC1)C2.
What is the InChIKey of 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine?
The InChIKey is UMCDAPDWQQLFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-10-4-2-3-8-7-9(11(8)10)12(13)5-6-12/h2-4,9H,5-7,13H2,1H3.
What are the key properties of 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine?
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine is sourced from PubChem (CID 105443737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).