(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine

C13H13N — CID 146278154

IUPAC(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
SMILESNC1=C/C=C\C=C2\CC=CC=C2/C=C\1
InChIInChI=1S/C13H13N/c14-13-8-4-3-6-11-5-1-2-7-12(11)9-10-13/h1-4,6-10H,5,14H2/b4-3-,10-9-,11-6-,13-8+
InChIKeyOBAUXSHVMOHNPW-XGPFWFEYSA-N
MW183.25 g/mol
LogP2.77
Rot. Bonds

About (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine

(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine (PubChem CID 146278154) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine.

Molecular Properties

Compound Name(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
PubChem CID146278154
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
SMILESNC1=C/C=C\C=C2\CC=CC=C2/C=C\1
InChIInChI=1S/C13H13N/c14-13-8-4-3-6-11-5-1-2-7-12(11)9-10-13/h1-4,6-10H,5,14H2/b4-3-,10-9-,11-6-,13-8+
InChIKeyOBAUXSHVMOHNPW-XGPFWFEYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine with MolForge

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
cyclohepta-1,3,6-trien-1-amine
CID 141371533
2-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 19888185
5-cyclopenta-1,3-dien-1-yl-2H-pyran
CID 90950916
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
cycloocta-1,3,5,7-tetraene-1,5-diamine
CID 158390610
bis(cyclohexa-1,4-diene);1,5-dihydroanthracene;1,5-dihydronaphthalene;1,7-dihydronaphthalene
CID 159591609
(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine
CID 143649858
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203

Frequently Asked Questions

What is the IUPAC name of (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine?
The IUPAC name of (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine (CID 146278154) is (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine.
What is the SMILES notation for (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine?
The canonical SMILES for (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine is NC1=C/C=C\C=C2\CC=CC=C2/C=C\1.
What is the InChIKey of (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine?
The InChIKey is OBAUXSHVMOHNPW-XGPFWFEYSA-N. The full InChI is InChI=1S/C13H13N/c14-13-8-4-3-6-11-5-1-2-7-12(11)9-10-13/h1-4,6-10H,5,14H2/b4-3-,10-9-,11-6-,13-8+.
What are the key properties of (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine?
(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine has a molecular weight of 183.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine is sourced from PubChem (CID 146278154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).