7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane

C12H21N — CID 131237372

IUPAC7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
SMILESC/C=C/CN1CCC2(CCC2)CC1
InChIInChI=1S/C12H21N/c1-2-3-9-13-10-7-12(8-11-13)5-4-6-12/h2-3H,4-11H2,1H3/b3-2+
InChIKeySPMWNDRTRJIWQX-NSCUHMNNSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds2

About 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane

7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane (PubChem CID 131237372) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
PubChem CID131237372
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
SMILESC/C=C/CN1CCC2(CCC2)CC1
InChIInChI=1S/C12H21N/c1-2-3-9-13-10-7-12(8-11-13)5-4-6-12/h2-3H,4-11H2,1H3/b3-2+
InChIKeySPMWNDRTRJIWQX-NSCUHMNNSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
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

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CID 5362969
2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
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7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
CID 131234481
3-prop-2-enyl-3-azaspiro[5.5]undecane
CID 125489505
4-[(E)-but-2-enyl]morpholine
CID 10909666
ethyl (E)-4-(8-azaspiro[4.5]decan-8-yl)but-2-enoate
CID 80549264
ethyl (E)-4-(3-azaspiro[5.5]undecan-3-yl)but-2-enoate
CID 80549568
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
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1-[(Z)-but-2-enyl]-4-ethylpiperidine
CID 145238229

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane (CID 131237372) is 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane is C/C=C/CN1CCC2(CCC2)CC1.
What is the InChIKey of 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane?
The InChIKey is SPMWNDRTRJIWQX-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-9-13-10-7-12(8-11-13)5-4-6-12/h2-3H,4-11H2,1H3/b3-2+.
What are the key properties of 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane?
7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 131237372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).