1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine

C13H16N2 — CID 107853052

IUPAC1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c14-13-6-3-7-15(13)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,6-9H2/b14-13+
InChIKeyVXSCQOLGZNQYFY-BUHFOSPRSA-N
MW200.29 g/mol
LogP2.23
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine

1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine (PubChem CID 107853052) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
PubChem CID107853052
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c14-13-6-3-7-15(13)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,6-9H2/b14-13+
InChIKeyVXSCQOLGZNQYFY-BUHFOSPRSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylpyrrolidin-2-imine
CID 43121965
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
CID 62232656
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
CID 66409750
1-(3-bicyclo[3.1.0]hexanyl)piperidin-2-imine
CID 130941270
5-(2-iminopyrrolidin-1-yl)piperidin-2-one
CID 63661241
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
1-(3,5-dimethylcyclohexyl)piperidin-2-imine
CID 64734642
1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
CID 131000652
1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine
CID 113359705
1-(3-methylcyclopentyl)piperidin-2-imine
CID 114547607
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-imine
CID 66409968
1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine
CID 131196455

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine (CID 107853052) is 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine?
The InChIKey is VXSCQOLGZNQYFY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2/c14-13-6-3-7-15(13)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,6-9H2/b14-13+.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine?
1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine has a molecular weight of 200.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine is sourced from PubChem (CID 107853052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).