7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one

C14H15NO — CID 142252038

IUPAC7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one
SMILES[H]/N=C/CCC1=CC(=O)c2ccccc2CC1
InChIInChI=1S/C14H15NO/c15-9-3-4-11-7-8-12-5-1-2-6-13(12)14(16)10-11/h1-2,5-6,9-10,15H,3-4,7-8H2/b15-9+
InChIKeyIWANJGNJUYAVOR-OQLLNIDSSA-N
MW213.28 g/mol
LogP3.17
Rot. Bonds3

About 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one

7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one (PubChem CID 142252038) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one
PubChem CID142252038
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one
SMILES[H]/N=C/CCC1=CC(=O)c2ccccc2CC1
InChIInChI=1S/C14H15NO/c15-9-3-4-11-7-8-12-5-1-2-6-13(12)14(16)10-11/h1-2,5-6,9-10,15H,3-4,7-8H2/b15-9+
InChIKeyIWANJGNJUYAVOR-OQLLNIDSSA-N
XLogP3.17
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)butan-1-imine
CID 89318646
7-methyl-8,9-dihydrobenzo[7]annulen-5-one
CID 25023067
2-(3-iminopropyl)isoindole-1,3-dione
CID 90696348
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
9,10-dihydrophenanthrene;ethane
CID 143759681
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
CID 91511684
3,4-dihydro-2H-naphthalen-1-imine
CID 11019004
5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
CID 20816
3-(4-sulfanylphenyl)-4H-naphthalen-1-one
CID 142149770

Frequently Asked Questions

What is the IUPAC name of 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one?
The IUPAC name of 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one (CID 142252038) is 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one.
What is the SMILES notation for 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one?
The canonical SMILES for 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one is [H]/N=C/CCC1=CC(=O)c2ccccc2CC1.
What is the InChIKey of 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one?
The InChIKey is IWANJGNJUYAVOR-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15NO/c15-9-3-4-11-7-8-12-5-1-2-6-13(12)14(16)10-11/h1-2,5-6,9-10,15H,3-4,7-8H2/b15-9+.
What are the key properties of 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one?
7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one has a molecular weight of 213.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-iminopropyl)-8,9-dihydrobenzo[7]annulen-5-one is sourced from PubChem (CID 142252038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).