N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C13H17NO — CID 81402601

IUPACN-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)c1ccco1
InChIInChI=1S/C13H17NO/c1-9(13-6-3-7-15-13)14-12-8-10-4-2-5-11(10)12/h2-3,5-7,9-12,14H,4,8H2,1H3/t9-,10?,11?,12?/m0/s1
InChIKeyZDWYCTNMMPTGJU-ZLMIFYAYSA-N
MW203.28 g/mol
LogP2.89
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 81402601) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID81402601
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)c1ccco1
InChIInChI=1S/C13H17NO/c1-9(13-6-3-7-15-13)14-12-8-10-4-2-5-11(10)12/h2-3,5-7,9-12,14H,4,8H2,1H3/t9-,10?,11?,12?/m0/s1
InChIKeyZDWYCTNMMPTGJU-ZLMIFYAYSA-N
XLogP2.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.89
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

N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43223346
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222580
trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
CID 81399364
(3R,4R)-4-[1-(furan-2-yl)ethylamino]pyrrolidin-3-ol
CID 131175689
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81388211
N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43233472
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 81402601) is N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C[C@H](NC1CC2CC=CC21)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is ZDWYCTNMMPTGJU-ZLMIFYAYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(13-6-3-7-15-13)14-12-8-10-4-2-5-11(10)12/h2-3,5-7,9-12,14H,4,8H2,1H3/t9-,10?,11?,12?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 203.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 81402601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).