(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine

C10H13N — CID 155311636

IUPAC(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine
SMILESC/C1=C/C=C\C/C=C\C=N/C1
InChIInChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h3-8H,2,9H2,1H3/b5-3-,6-4-,10-7-,11-8-
InChIKeyDVMZXRHKVDCBSI-JBAZBJNESA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds

About (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine

(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine (PubChem CID 155311636) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine.

Molecular Properties

Compound Name(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine
PubChem CID155311636
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine
SMILESC/C1=C/C=C\C/C=C\C=N/C1
InChIInChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h3-8H,2,9H2,1H3/b5-3-,6-4-,10-7-,11-8-
InChIKeyDVMZXRHKVDCBSI-JBAZBJNESA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine?
The IUPAC name of (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine (CID 155311636) is (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine.
What is the SMILES notation for (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine?
The canonical SMILES for (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine is C/C1=C/C=C\C/C=C\C=N/C1.
What is the InChIKey of (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine?
The InChIKey is DVMZXRHKVDCBSI-JBAZBJNESA-N. The full InChI is InChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h3-8H,2,9H2,1H3/b5-3-,6-4-,10-7-,11-8-.
What are the key properties of (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine?
(3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8Z)-3-methyl-2,7-dihydroazecine is sourced from PubChem (CID 155311636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).