(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine

C15H19NO — CID 79880754

IUPAC(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine
SMILESNC1CC/C(=C/C2OCCc3ccccc32)C1
InChIInChI=1S/C15H19NO/c16-13-6-5-11(9-13)10-15-14-4-2-1-3-12(14)7-8-17-15/h1-4,10,13,15H,5-9,16H2/b11-10-
InChIKeyBTANYRNHHURDML-KHPPLWFESA-N
MW229.32 g/mol
LogP2.74
Rot. Bonds1

About (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine

(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine (PubChem CID 79880754) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine
PubChem CID79880754
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine
SMILESNC1CC/C(=C/C2OCCc3ccccc32)C1
InChIInChI=1S/C15H19NO/c16-13-6-5-11(9-13)10-15-14-4-2-1-3-12(14)7-8-17-15/h1-4,10,13,15H,5-9,16H2/b11-10-
InChIKeyBTANYRNHHURDML-KHPPLWFESA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine?
The IUPAC name of (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine (CID 79880754) is (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine.
What is the SMILES notation for (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine?
The canonical SMILES for (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine is NC1CC/C(=C/C2OCCc3ccccc32)C1.
What is the InChIKey of (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine?
The InChIKey is BTANYRNHHURDML-KHPPLWFESA-N. The full InChI is InChI=1S/C15H19NO/c16-13-6-5-11(9-13)10-15-14-4-2-1-3-12(14)7-8-17-15/h1-4,10,13,15H,5-9,16H2/b11-10-.
What are the key properties of (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine?
(3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3,4-dihydro-1H-isochromen-1-ylmethylidene)cyclopentan-1-amine is sourced from PubChem (CID 79880754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).