N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C13H21NO — CID 61039966

IUPACN-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCC1CCCO1
InChIInChI=1S/C13H21NO/c1-3-10-9-13(12(10)5-1)14-7-6-11-4-2-8-15-11/h1,5,10-14H,2-4,6-9H2
InChIKeyOBBUQARNGWOBGJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 61039966) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID61039966
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCC1CCCO1
InChIInChI=1S/C13H21NO/c1-3-10-9-13(12(10)5-1)14-7-6-11-4-2-8-15-11/h1,5,10-14H,2-4,6-9H2
InChIKeyOBBUQARNGWOBGJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 61039966) is N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is OBBUQARNGWOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-10-9-13(12(10)5-1)14-7-6-11-4-2-8-15-11/h1,5,10-14H,2-4,6-9H2.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 61039966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).