(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine

C14H15N — CID 145396751

IUPAC(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine
SMILESC=C1/C=C\C=C/N(CC)c2ccccc21
InChIInChI=1S/C14H15N/c1-3-15-11-7-6-8-12(2)13-9-4-5-10-14(13)15/h4-11H,2-3H2,1H3/b8-6-,11-7-
InChIKeyULRXBXWNRATAEW-NFNKYSHCSA-N
MW197.28 g/mol
LogP3.61
Rot. Bonds1

About (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine

(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine (PubChem CID 145396751) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine
PubChem CID145396751
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine
SMILESC=C1/C=C\C=C/N(CC)c2ccccc21
InChIInChI=1S/C14H15N/c1-3-15-11-7-6-8-12(2)13-9-4-5-10-14(13)15/h4-11H,2-3H2,1H3/b8-6-,11-7-
InChIKeyULRXBXWNRATAEW-NFNKYSHCSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine
CID 142362996
(4E)-4-(2,2-dimethylbut-3-enylidene)-1-ethylquinoline
CID 173492579
9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole
CID 142355676
9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
CID 129301076
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
(4Z)-4-[(2,6-dinitrophenyl)methylidene]-1-ethylquinoline
CID 21430950
(2Z,4Z)-N-[2-(2-iminoethyl)phenyl]sulfanyl-6-methylidene-1-benzazocin-1-amine
CID 145198830
1-ethyl-4-[(1-ethylpyridin-1-ium-2-yl)methylidene]quinoline
CID 53422459
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
5-ethyl-6-methylidenebenzo[b][1,4]benzothiazepine
CID 145060015
1-ethylbenzo[de]quinoline
CID 68936236
CID 177464064
CID 177464064

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine?
The IUPAC name of (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine (CID 145396751) is (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine.
What is the SMILES notation for (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine?
The canonical SMILES for (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine is C=C1/C=C\C=C/N(CC)c2ccccc21.
What is the InChIKey of (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine?
The InChIKey is ULRXBXWNRATAEW-NFNKYSHCSA-N. The full InChI is InChI=1S/C14H15N/c1-3-15-11-7-6-8-12(2)13-9-4-5-10-14(13)15/h4-11H,2-3H2,1H3/b8-6-,11-7-.
What are the key properties of (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine?
(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine has a molecular weight of 197.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine is sourced from PubChem (CID 145396751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).