N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine

C15H17NO2 — CID 115696388

IUPACN-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCOc1cccc2cc(CNC3CC=CC3)oc12
InChIInChI=1S/C15H17NO2/c1-17-14-8-4-5-11-9-13(18-15(11)14)10-16-12-6-2-3-7-12/h2-5,8-9,12,16H,6-7,10H2,1H3
InChIKeyFLQVRYREOABFQD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.25
Rot. Bonds4

About N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine

N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696388) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696388
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCOc1cccc2cc(CNC3CC=CC3)oc12
InChIInChI=1S/C15H17NO2/c1-17-14-8-4-5-11-9-13(18-15(11)14)10-16-12-6-2-3-7-12/h2-5,8-9,12,16H,6-7,10H2,1H3
InChIKeyFLQVRYREOABFQD-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43222617
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one
CID 43782021
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one;hydrochloride
CID 47045790
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 95183007
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine (CID 115696388) is N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine is COc1cccc2cc(CNC3CC=CC3)oc12.
What is the InChIKey of N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is FLQVRYREOABFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-8-4-5-11-9-13(18-15(11)14)10-16-12-6-2-3-7-12/h2-5,8-9,12,16H,6-7,10H2,1H3.
What are the key properties of N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine?
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 243.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).