(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane

C14H23N — CID 143328926

IUPAC(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane
SMILESC=C/C=C1/CCCNC/C1=C/C=C.CC
InChIInChI=1S/C12H17N.C2H6/c1-3-6-11-8-5-9-13-10-12(11)7-4-2;1-2/h3-4,6-7,13H,1-2,5,8-10H2;1-2H3/b11-6-,12-7-;
InChIKeyYLAKQPOMDCBMTF-CVLCCZRFSA-N
MW205.34 g/mol
LogP3.62
Rot. Bonds2

About (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane

(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane (PubChem CID 143328926) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane.

Molecular Properties

Compound Name(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane
PubChem CID143328926
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane
SMILESC=C/C=C1/CCCNC/C1=C/C=C.CC
InChIInChI=1S/C12H17N.C2H6/c1-3-6-11-8-5-9-13-10-12(11)7-4-2;1-2/h3-4,6-7,13H,1-2,5,8-10H2;1-2H3/b11-6-,12-7-;
InChIKeyYLAKQPOMDCBMTF-CVLCCZRFSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane?
The IUPAC name of (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane (CID 143328926) is (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane.
What is the SMILES notation for (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane?
The canonical SMILES for (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane is C=C/C=C1/CCCNC/C1=C/C=C.CC.
What is the InChIKey of (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane?
The InChIKey is YLAKQPOMDCBMTF-CVLCCZRFSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-3-6-11-8-5-9-13-10-12(11)7-4-2;1-2/h3-4,6-7,13H,1-2,5,8-10H2;1-2H3/b11-6-,12-7-;.
What are the key properties of (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane?
(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane has a molecular weight of 205.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane is sourced from PubChem (CID 143328926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).