2-benzo[e]indol-1-ylideneacetaldehyde

C14H9NO — CID 141017797

IUPAC2-benzo[e]indol-1-ylideneacetaldehyde
SMILESO=CC=C1C=Nc2ccc3ccccc3c21
InChIInChI=1S/C14H9NO/c16-8-7-11-9-15-13-6-5-10-3-1-2-4-12(10)14(11)13/h1-9H
InChIKeyUDJKYBJFWLHJKG-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.14
Rot. Bonds1

About 2-benzo[e]indol-1-ylideneacetaldehyde

2-benzo[e]indol-1-ylideneacetaldehyde (PubChem CID 141017797) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-benzo[e]indol-1-ylideneacetaldehyde.

Molecular Properties

Compound Name2-benzo[e]indol-1-ylideneacetaldehyde
PubChem CID141017797
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name2-benzo[e]indol-1-ylideneacetaldehyde
SMILESO=CC=C1C=Nc2ccc3ccccc3c21
InChIInChI=1S/C14H9NO/c16-8-7-11-9-15-13-6-5-10-3-1-2-4-12(10)14(11)13/h1-9H
InChIKeyUDJKYBJFWLHJKG-UHFFFAOYSA-N
XLogP3.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

naphtho[2,1-b]azete
CID 66777316
2-methyl-1-methylidenebenzo[e]indole
CID 89205343
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
naphtho[1,2-c]diazete
CID 54377699
aluminum;lithium;bis(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate)
CID 11556215
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
naphtho[1,2-b]phenanthrene
CID 5889
phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454
molecular hydrogen;1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate;uranium
CID 102206334
10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
CID 143992659
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e]indol-1-ylideneacetaldehyde?
The IUPAC name of 2-benzo[e]indol-1-ylideneacetaldehyde (CID 141017797) is 2-benzo[e]indol-1-ylideneacetaldehyde.
What is the SMILES notation for 2-benzo[e]indol-1-ylideneacetaldehyde?
The canonical SMILES for 2-benzo[e]indol-1-ylideneacetaldehyde is O=CC=C1C=Nc2ccc3ccccc3c21.
What is the InChIKey of 2-benzo[e]indol-1-ylideneacetaldehyde?
The InChIKey is UDJKYBJFWLHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-8-7-11-9-15-13-6-5-10-3-1-2-4-12(10)14(11)13/h1-9H.
What are the key properties of 2-benzo[e]indol-1-ylideneacetaldehyde?
2-benzo[e]indol-1-ylideneacetaldehyde has a molecular weight of 207.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e]indol-1-ylideneacetaldehyde is sourced from PubChem (CID 141017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).