N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide

C15H17NO — CID 115661886

IUPACN-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
SMILESC#CCC(C)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO/c1-3-5-11(2)16-15(17)14-9-8-12-6-4-7-13(12)10-14/h1,8-11H,4-7H2,2H3,(H,16,17)
InChIKeyMLGHRUGROGMKGU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.32
Rot. Bonds3

About N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide

N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 115661886) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID115661886
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
SMILESC#CCC(C)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO/c1-3-5-11(2)16-15(17)14-9-8-12-6-4-7-13(12)10-14/h1,8-11H,4-7H2,2H3,(H,16,17)
InChIKeyMLGHRUGROGMKGU-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
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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Related Compounds

N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 103726002
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide (CID 115661886) is N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide is C#CCC(C)NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is MLGHRUGROGMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-5-11(2)16-15(17)14-9-8-12-6-4-7-13(12)10-14/h1,8-11H,4-7H2,2H3,(H,16,17).
What are the key properties of N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide?
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 115661886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).