N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine

C14H15NO — CID 115750478

IUPACN-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2coc3ccccc23)C1
InChIInChI=1S/C14H15NO/c1-2-6-12(5-1)15-9-11-10-16-14-8-4-3-7-13(11)14/h1-4,7-8,10,12,15H,5-6,9H2
InChIKeyGFZGIQGHLWJEAW-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.24
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine

N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine (PubChem CID 115750478) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
PubChem CID115750478
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2coc3ccccc23)C1
InChIInChI=1S/C14H15NO/c1-2-6-12(5-1)15-9-11-10-16-14-8-4-3-7-13(11)14/h1-4,7-8,10,12,15H,5-6,9H2
InChIKeyGFZGIQGHLWJEAW-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.24
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

4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714828
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine (CID 115750478) is N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine is C1=CCC(NCc2coc3ccccc23)C1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine?
The InChIKey is GFZGIQGHLWJEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-6-12(5-1)15-9-11-10-16-14-8-4-3-7-13(11)14/h1-4,7-8,10,12,15H,5-6,9H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine?
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 115750478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).