2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile

C14H11NO — CID 167433276

IUPAC2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
SMILESN#Cc1ccc2c3c(ccc2c1)OCCC3
InChIInChI=1S/C14H11NO/c15-9-10-3-5-12-11(8-10)4-6-14-13(12)2-1-7-16-14/h3-6,8H,1-2,7H2
InChIKeyPJRYOXCRVQDKJE-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.04
Rot. Bonds

About 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile

2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile (PubChem CID 167433276) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
PubChem CID167433276
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
SMILESN#Cc1ccc2c3c(ccc2c1)OCCC3
InChIInChI=1S/C14H11NO/c15-9-10-3-5-12-11(8-10)4-6-14-13(12)2-1-7-16-14/h3-6,8H,1-2,7H2
InChIKeyPJRYOXCRVQDKJE-UHFFFAOYSA-N
XLogP3.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
anthracene-2,6-dicarbonitrile
CID 89012264
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
7-methyl-2,3,4,5-tetrahydro-1-benzoxepine-6-carbonitrile
CID 101424758
2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
CID 84618320
7-bromophenanthrene-2-carbonitrile
CID 129104826
5-(oxan-2-yloxy)naphthalene-2-carbonitrile
CID 67656854
4-ethyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 67574974
5-(2-bromoethyl)-2,3,4,5-tetrahydro-1-benzoxepine-8-carbonitrile
CID 18986522
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
3-[22-(phosphanylmethyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaen-6-yl]prop-2-ynylphosphane
CID 70940260
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-ynenitrile
CID 83699699

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile (CID 167433276) is 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile is N#Cc1ccc2c3c(ccc2c1)OCCC3.
What is the InChIKey of 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile?
The InChIKey is PJRYOXCRVQDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-9-10-3-5-12-11(8-10)4-6-14-13(12)2-1-7-16-14/h3-6,8H,1-2,7H2.
What are the key properties of 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile?
2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile is sourced from PubChem (CID 167433276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).