6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane

C11H19N — CID 164922234

IUPAC6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCC/C=C/C1CC2(CC2)CN1C
InChIInChI=1S/C11H19N/c1-3-4-5-10-8-11(6-7-11)9-12(10)2/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyPHQDKELCKHMNDH-SNAWJCMRSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds2

About 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane

6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 164922234) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane
PubChem CID164922234
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCC/C=C/C1CC2(CC2)CN1C
InChIInChI=1S/C11H19N/c1-3-4-5-10-8-11(6-7-11)9-12(10)2/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyPHQDKELCKHMNDH-SNAWJCMRSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
CID 164922414
2-[(Z)-but-1-enyl]spiro[3.5]nonane
CID 163914586
5,6-dimethyl-5-azaspiro[2.4]heptane;ethane
CID 144912069
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117265759
5,6-diethylspiro[2.4]heptane
CID 177192839
1-(2-but-1-enylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 57358326
6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexene
CID 13329038
3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 91210908
6-ethyl-5,7-dioxaspiro[2.5]octane
CID 163722757
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
3-[(Z)-but-1-enyl]azetidine
CID 126845384
[(E)-but-1-enyl]cyclodecane
CID 173272598

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane (CID 164922234) is 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane is CC/C=C/C1CC2(CC2)CN1C.
What is the InChIKey of 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is PHQDKELCKHMNDH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-10-8-11(6-7-11)9-12(10)2/h4-5,10H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane?
6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 165.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 164922234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).