(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine

C14H17N — CID 169061691

IUPAC(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine
SMILESCC(C)/C1=C/c2ccccc2/N=C\CC1
InChIInChI=1S/C14H17N/c1-11(2)12-7-5-9-15-14-8-4-3-6-13(14)10-12/h3-4,6,8-11H,5,7H2,1-2H3/b12-10+,15-9-
InChIKeyRQCQHZFANIEQLC-YETLEGOWSA-N
MW199.30 g/mol
LogP4.22
Rot. Bonds1

About (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine

(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine (PubChem CID 169061691) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine.

Molecular Properties

Compound Name(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine
PubChem CID169061691
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine
SMILESCC(C)/C1=C/c2ccccc2/N=C\CC1
InChIInChI=1S/C14H17N/c1-11(2)12-7-5-9-15-14-8-4-3-6-13(14)10-12/h3-4,6,8-11H,5,7H2,1-2H3/b12-10+,15-9-
InChIKeyRQCQHZFANIEQLC-YETLEGOWSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine?
The IUPAC name of (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine (CID 169061691) is (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine.
What is the SMILES notation for (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine?
The canonical SMILES for (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine is CC(C)/C1=C/c2ccccc2/N=C\CC1.
What is the InChIKey of (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine?
The InChIKey is RQCQHZFANIEQLC-YETLEGOWSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)12-7-5-9-15-14-8-4-3-6-13(14)10-12/h3-4,6,8-11H,5,7H2,1-2H3/b12-10+,15-9-.
What are the key properties of (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine?
(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine has a molecular weight of 199.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine is sourced from PubChem (CID 169061691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).