8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane

C17H33N — CID 143140853

IUPAC8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane
SMILESCC.CC.CC/C=C\C1=C(C)N(C)CC12CCC2
InChIInChI=1S/C13H21N.2C2H6/c1-4-5-7-12-11(2)14(3)10-13(12)8-6-9-13;2*1-2/h5,7H,4,6,8-10H2,1-3H3;2*1-2H3/b7-5-;;
InChIKeyNHXVQPKJBNNSPU-MWKZNRQPSA-N
MW251.46 g/mol
LogP5.39
Rot. Bonds2

About 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane

8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane (PubChem CID 143140853) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane.

Molecular Properties

Compound Name8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane
PubChem CID143140853
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane
SMILESCC.CC.CC/C=C\C1=C(C)N(C)CC12CCC2
InChIInChI=1S/C13H21N.2C2H6/c1-4-5-7-12-11(2)14(3)10-13(12)8-6-9-13;2*1-2/h5,7H,4,6,8-10H2,1-3H3;2*1-2H3/b7-5-;;
InChIKeyNHXVQPKJBNNSPU-MWKZNRQPSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane?
The IUPAC name of 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane (CID 143140853) is 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane.
What is the SMILES notation for 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane?
The canonical SMILES for 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane is CC.CC.CC/C=C\C1=C(C)N(C)CC12CCC2.
What is the InChIKey of 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane?
The InChIKey is NHXVQPKJBNNSPU-MWKZNRQPSA-N. The full InChI is InChI=1S/C13H21N.2C2H6/c1-4-5-7-12-11(2)14(3)10-13(12)8-6-9-13;2*1-2/h5,7H,4,6,8-10H2,1-3H3;2*1-2H3/b7-5-;;.
What are the key properties of 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane?
8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane has a molecular weight of 251.46 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-but-1-enyl]-6,7-dimethyl-6-azaspiro[3.4]oct-7-ene;ethane is sourced from PubChem (CID 143140853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).