N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide

C15H18N2O — CID 106703438

IUPACN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-11(7-8-16)17(2)15(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7,9-10H2,1-2H3
InChIKeyQEPUYISXCVUKOH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.16
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide

N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703438) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703438
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-11(7-8-16)17(2)15(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7,9-10H2,1-2H3
InChIKeyQEPUYISXCVUKOH-UHFFFAOYSA-N
XLogP2.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide (CID 106703438) is N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide is CC(CC#N)N(C)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is QEPUYISXCVUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(7-8-16)17(2)15(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7,9-10H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).