N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide

C14H15NO2 — CID 114028589

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
SMILESC#CCCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H15NO2/c1-2-3-8-13(17)15-14-11-7-5-4-6-10(11)9-12(14)16/h1,4-7,12,14,16H,3,8-9H2,(H,15,17)/t12-,14+/m1/s1
InChIKeyDDGCVKRCDRSHPC-OCCSQVGLSA-N
MW229.28 g/mol
LogP1.17
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide (PubChem CID 114028589) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
PubChem CID114028589
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
SMILESC#CCCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H15NO2/c1-2-3-8-13(17)15-14-11-7-5-4-6-10(11)9-12(14)16/h1,4-7,12,14,16H,3,8-9H2,(H,15,17)/t12-,14+/m1/s1
InChIKeyDDGCVKRCDRSHPC-OCCSQVGLSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hept-6-ynamide
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N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
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4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
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N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
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2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
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5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
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N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
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N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
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N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide (CID 114028589) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide is C#CCCC(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide?
The InChIKey is DDGCVKRCDRSHPC-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-8-13(17)15-14-11-7-5-4-6-10(11)9-12(14)16/h1,4-7,12,14,16H,3,8-9H2,(H,15,17)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide has a molecular weight of 229.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide is sourced from PubChem (CID 114028589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).