2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile

C17H20N2O2 — CID 156862053

IUPAC2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCN1CCCC1COc1ccc2c(c1C#N)CC(C=O)C2
InChIInChI=1S/C17H20N2O2/c1-19-6-2-3-14(19)11-21-17-5-4-13-7-12(10-20)8-15(13)16(17)9-18/h4-5,10,12,14H,2-3,6-8,11H2,1H3
InChIKeyNVMFSRBPDNMOLR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds4

About 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile

2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156862053) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID156862053
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCN1CCCC1COc1ccc2c(c1C#N)CC(C=O)C2
InChIInChI=1S/C17H20N2O2/c1-19-6-2-3-14(19)11-21-17-5-4-13-7-12(10-20)8-15(13)16(17)9-18/h4-5,10,12,14H,2-3,6-8,11H2,1H3
InChIKeyNVMFSRBPDNMOLR-UHFFFAOYSA-N
XLogP1.94
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(4-cyano-2-formyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 156862698
tert-butyl 2-[[4-cyano-2-(hydroxymethyl)-1H-inden-5-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 175351411
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
tert-butyl 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzoate
CID 66643189
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
(1-methylpyrrolidin-2-yl)methyl N-(3-chloro-4-cyano-2-methylphenyl)methanimidate
CID 143106539
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638

Frequently Asked Questions

What is the IUPAC name of 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile (CID 156862053) is 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile is CN1CCCC1COc1ccc2c(c1C#N)CC(C=O)C2.
What is the InChIKey of 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is NVMFSRBPDNMOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19-6-2-3-14(19)11-21-17-5-4-13-7-12(10-20)8-15(13)16(17)9-18/h4-5,10,12,14H,2-3,6-8,11H2,1H3.
What are the key properties of 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile?
2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156862053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).