2-(dimethylamino)-5-formylbenzonitrile

C10H10N2O — CID 44717106

IUPAC2-(dimethylamino)-5-formylbenzonitrile
SMILESCN(C)c1ccc(C=O)cc1C#N
InChIInChI=1S/C10H10N2O/c1-12(2)10-4-3-8(7-13)5-9(10)6-11/h3-5,7H,1-2H3
InChIKeyQFGBDJDMBCDTFM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.44
Rot. Bonds2

About 2-(dimethylamino)-5-formylbenzonitrile

2-(dimethylamino)-5-formylbenzonitrile (PubChem CID 44717106) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(dimethylamino)-5-formylbenzonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-5-formylbenzonitrile
PubChem CID44717106
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(dimethylamino)-5-formylbenzonitrile
SMILESCN(C)c1ccc(C=O)cc1C#N
InChIInChI=1S/C10H10N2O/c1-12(2)10-4-3-8(7-13)5-9(10)6-11/h3-5,7H,1-2H3
InChIKeyQFGBDJDMBCDTFM-UHFFFAOYSA-N
XLogP1.44
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-(1-Pyrrolidinyl)benzaldehyde
CID 104037
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
4-(Azepan-1-yl)benzaldehyde
CID 2507867
4-(Piperidin-1-yl)benzaldehyde
CID 291354
4-(Dimethylamino)benzamide
CID 596365
Propanenitrile, 3-[(4-formylphenyl)methylamino]-
CID 66744
4-(Dipropylamino)benzaldehyde
CID 69171
4-(Methylnitrosoamino)benzaldehyde
CID 13238367
Benzaldehyde, (dimethylamino)-
CID 34289

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-formylbenzonitrile?
The IUPAC name of 2-(dimethylamino)-5-formylbenzonitrile (CID 44717106) is 2-(dimethylamino)-5-formylbenzonitrile.
What is the SMILES notation for 2-(dimethylamino)-5-formylbenzonitrile?
The canonical SMILES for 2-(dimethylamino)-5-formylbenzonitrile is CN(C)c1ccc(C=O)cc1C#N.
What is the InChIKey of 2-(dimethylamino)-5-formylbenzonitrile?
The InChIKey is QFGBDJDMBCDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12(2)10-4-3-8(7-13)5-9(10)6-11/h3-5,7H,1-2H3.
What are the key properties of 2-(dimethylamino)-5-formylbenzonitrile?
2-(dimethylamino)-5-formylbenzonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-formylbenzonitrile is sourced from PubChem (CID 44717106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).