2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane

C18H23N — CID 142201727

IUPAC2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane
SMILESC=CC1=C(C=C)N(CC)c2ccccc2C=C1.CC
InChIInChI=1S/C16H17N.C2H6/c1-4-13-11-12-14-9-7-8-10-16(14)17(6-3)15(13)5-2;1-2/h4-5,7-12H,1-2,6H2,3H3;1-2H3
InChIKeyRNNFIAJZMVGSGC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.19
Rot. Bonds3

About 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane

2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane (PubChem CID 142201727) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane
PubChem CID142201727
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane
SMILESC=CC1=C(C=C)N(CC)c2ccccc2C=C1.CC
InChIInChI=1S/C16H17N.C2H6/c1-4-13-11-12-14-9-7-8-10-16(14)17(6-3)15(13)5-2;1-2/h4-5,7-12H,1-2,6H2,3H3;1-2H3
InChIKeyRNNFIAJZMVGSGC-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenylidene-1-ethylquinoline
CID 101423896
11-prop-2-enylbenzo[b][1]benzazepine
CID 12580540
azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
CID 142611226
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
11-prop-2-ynylbenzo[b][1]benzazepine
CID 139083428
(2E)-1-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
CID 7514091
(2E)-1-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline iodide
CID 45488339
1-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]quinoline
CID 53422444
2-[(1-ethylquinolin-2-ylidene)methyl]-3-methyl-1,3-thiazol-3-ium iodide
CID 74337192
(3Z,5Z)-N-(2,5-dimethylhexyl)-3,4-bis(ethenyl)-2H-1-benzazocin-1-amine;ethene
CID 154676703
11-but-2-ynylbenzo[b][1]benzazepine
CID 155466614

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane (CID 142201727) is 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane is C=CC1=C(C=C)N(CC)c2ccccc2C=C1.CC.
What is the InChIKey of 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane?
The InChIKey is RNNFIAJZMVGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C2H6/c1-4-13-11-12-14-9-7-8-10-16(14)17(6-3)15(13)5-2;1-2/h4-5,7-12H,1-2,6H2,3H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane?
2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane has a molecular weight of 253.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-ethyl-1-benzazepine;ethane is sourced from PubChem (CID 142201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).