(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene

C11H13N — CID 163889597

IUPAC(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene
SMILESCC/C1=C/CN=C=C=CCC=C1
InChIInChI=1S/C11H13N/c1-2-11-7-5-3-4-6-9-12-10-8-11/h4-5,7-8H,2-3,10H2,1H3/b7-5?,11-8-
InChIKeyQAKSJVSMCSGMGH-XSIZSJBGSA-N
MW159.23 g/mol
LogP2.66
Rot. Bonds1

About (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene

(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene (PubChem CID 163889597) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene.

Molecular Properties

Compound Name(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene
PubChem CID163889597
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene
SMILESCC/C1=C/CN=C=C=CCC=C1
InChIInChI=1S/C11H13N/c1-2-11-7-5-3-4-6-9-12-10-8-11/h4-5,7-8H,2-3,10H2,1H3/b7-5?,11-8-
InChIKeyQAKSJVSMCSGMGH-XSIZSJBGSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-propylcyclopenta-1,3-diene
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2-heptadecylcyclopenta-1,3-diene
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ethane;2-prop-2-enylcyclopenta-1,3-diene
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cyclopenta-1,4-dien-1-ylmethyl-ethoxy-dimethylsilane
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CID 22555170
ethane;3-ethyl-2,4-dimethylcyclohepta-1,3,5-triene
CID 145320369
(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol
CID 123912422
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
CID 163815905
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene?
The IUPAC name of (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene (CID 163889597) is (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene.
What is the SMILES notation for (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene?
The canonical SMILES for (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene is CC/C1=C/CN=C=C=CCC=C1.
What is the InChIKey of (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene?
The InChIKey is QAKSJVSMCSGMGH-XSIZSJBGSA-N. The full InChI is InChI=1S/C11H13N/c1-2-11-7-5-3-4-6-9-12-10-8-11/h4-5,7-8H,2-3,10H2,1H3/b7-5?,11-8-.
What are the key properties of (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene?
(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene has a molecular weight of 159.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene is sourced from PubChem (CID 163889597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).