(5Z)-1-methyl-1-azacyclonona-5,7,8-triene

C9H13N — CID 163999799

IUPAC(5Z)-1-methyl-1-azacyclonona-5,7,8-triene
SMILESCN1C=C=C/C=C\CCC1
InChIInChI=1S/C9H13N/c1-10-8-6-4-2-3-5-7-9-10/h2-4,8H,5,7,9H2,1H3/b3-2-
InChIKeyUHYPFPRYRRIWFV-IHWYPQMZSA-N
MW135.21 g/mol
LogP1.94
Rot. Bonds

About (5Z)-1-methyl-1-azacyclonona-5,7,8-triene

(5Z)-1-methyl-1-azacyclonona-5,7,8-triene (PubChem CID 163999799) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (5Z)-1-methyl-1-azacyclonona-5,7,8-triene.

Molecular Properties

Compound Name(5Z)-1-methyl-1-azacyclonona-5,7,8-triene
PubChem CID163999799
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(5Z)-1-methyl-1-azacyclonona-5,7,8-triene
SMILESCN1C=C=C/C=C\CCC1
InChIInChI=1S/C9H13N/c1-10-8-6-4-2-3-5-7-9-10/h2-4,8H,5,7,9H2,1H3/b3-2-
InChIKeyUHYPFPRYRRIWFV-IHWYPQMZSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123595184
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CID 139243567
CID 139243567
(4Z,6Z,8Z)-1,3,3-trimethyl-2H-azonine
CID 139243578
CID 139245192
CID 139245192
(6Z,8Z,10Z)-5-methyl-5-azaspiro[2.8]undeca-6,8,10-triene
CID 139245201
(1Z)-1-cyclohexa-2,4-dien-1-ylidene-N,N-dimethylmethanamine
CID 164673616
(4E)-N,N-dimethylhepta-4,6-dien-1-amine
CID 12347288
Butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide
CID 20753901
1-(2,3-dimethylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 53841229
N,N-dimethylhepta-4,6-dien-1-amine
CID 54118511
N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine
CID 54164179

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-methyl-1-azacyclonona-5,7,8-triene?
The IUPAC name of (5Z)-1-methyl-1-azacyclonona-5,7,8-triene (CID 163999799) is (5Z)-1-methyl-1-azacyclonona-5,7,8-triene.
What is the SMILES notation for (5Z)-1-methyl-1-azacyclonona-5,7,8-triene?
The canonical SMILES for (5Z)-1-methyl-1-azacyclonona-5,7,8-triene is CN1C=C=C/C=C\CCC1.
What is the InChIKey of (5Z)-1-methyl-1-azacyclonona-5,7,8-triene?
The InChIKey is UHYPFPRYRRIWFV-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H13N/c1-10-8-6-4-2-3-5-7-9-10/h2-4,8H,5,7,9H2,1H3/b3-2-.
What are the key properties of (5Z)-1-methyl-1-azacyclonona-5,7,8-triene?
(5Z)-1-methyl-1-azacyclonona-5,7,8-triene has a molecular weight of 135.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-methyl-1-azacyclonona-5,7,8-triene is sourced from PubChem (CID 163999799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).