2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide

C17H19NO3 — CID 141370420

IUPAC2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide
SMILESC#CCNC(=O)C(O)C[C@@H]1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C17H19NO3/c1-2-8-18-17(20)14(19)10-12-4-3-11-5-6-15-13(16(11)12)7-9-21-15/h1,5-6,12,14,19H,3-4,7-10H2,(H,18,20)/t12-,14?/m0/s1
InChIKeyJMFWUQLITRDEHZ-NBFOIZRFSA-N
MW285.34 g/mol
LogP1.15
Rot. Bonds4

About 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide

2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide (PubChem CID 141370420) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide
PubChem CID141370420
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide
SMILESC#CCNC(=O)C(O)C[C@@H]1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C17H19NO3/c1-2-8-18-17(20)14(19)10-12-4-3-11-5-6-15-13(16(11)12)7-9-21-15/h1,5-6,12,14,19H,3-4,7-10H2,(H,18,20)/t12-,14?/m0/s1
InChIKeyJMFWUQLITRDEHZ-NBFOIZRFSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-hydroxy-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86580764
2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11708851
(2R)-3-methylbutan-2-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143058
N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582867
N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582866
CID 172788716
CID 172788716
2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetonitrile
CID 45278777
5-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)pentanamide
CID 68574218
(2R)-heptan-2-amine;2-[(8R)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25141869
(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143055
(1S)-1-(3,4-dimethoxyphenyl)ethanamine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25142916
2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
CID 163948359

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide?
The IUPAC name of 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide (CID 141370420) is 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide.
What is the SMILES notation for 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide?
The canonical SMILES for 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide is C#CCNC(=O)C(O)C[C@@H]1CCc2ccc3c(c21)CCO3.
What is the InChIKey of 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide?
The InChIKey is JMFWUQLITRDEHZ-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-8-18-17(20)14(19)10-12-4-3-11-5-6-15-13(16(11)12)7-9-21-15/h1,5-6,12,14,19H,3-4,7-10H2,(H,18,20)/t12-,14?/m0/s1.
What are the key properties of 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide?
2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide has a molecular weight of 285.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide is sourced from PubChem (CID 141370420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).