N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H19NO — CID 43771922

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESC1=CC2C(C1)CC2NC1CCCc2occc21
InChIInChI=1S/C15H19NO/c1-3-10-9-14(11(10)4-1)16-13-5-2-6-15-12(13)7-8-17-15/h1,4,7-8,10-11,13-14,16H,2-3,5-6,9H2
InChIKeyUJYAQQGPLORNAT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.21
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43771922) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43771922
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESC1=CC2C(C1)CC2NC1CCCc2occc21
InChIInChI=1S/C15H19NO/c1-3-10-9-14(11(10)4-1)16-13-5-2-6-15-12(13)7-8-17-15/h1,4,7-8,10-11,13-14,16H,2-3,5-6,9H2
InChIKeyUJYAQQGPLORNAT-UHFFFAOYSA-N
XLogP3.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106661736
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-1-amine
CID 83007266
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43771922) is N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is C1=CC2C(C1)CC2NC1CCCc2occc21.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is UJYAQQGPLORNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-10-9-14(11(10)4-1)16-13-5-2-6-15-12(13)7-8-17-15/h1,4,7-8,10-11,13-14,16H,2-3,5-6,9H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 229.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).