N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide

C16H19NO — CID 106703725

IUPACN-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESC#CCC(CC)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H19NO/c1-3-7-15(4-2)17-16(18)14-10-12-8-5-6-9-13(12)11-14/h1,5-6,8-9,14-15H,4,7,10-11H2,2H3,(H,17,18)
InChIKeyPDGUABWRQPFICR-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.32
Rot. Bonds4

About N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide

N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703725) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703725
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESC#CCC(CC)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H19NO/c1-3-7-15(4-2)17-16(18)14-10-12-8-5-6-9-13(12)11-14/h1,5-6,8-9,14-15H,4,7,10-11H2,2H3,(H,17,18)
InChIKeyPDGUABWRQPFICR-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 106703725) is N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide is C#CCC(CC)NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PDGUABWRQPFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-7-15(4-2)17-16(18)14-10-12-8-5-6-9-13(12)11-14/h1,5-6,8-9,14-15H,4,7,10-11H2,2H3,(H,17,18).
What are the key properties of N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide?
N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).