2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide

C14H17NO2 — CID 110680415

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-8-15-14(16)10-11-7-9-17-13-6-4-3-5-12(11)13/h2-6,11H,1,7-10H2,(H,15,16)
InChIKeyDVYHSQGCPFAEHD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide (PubChem CID 110680415) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
PubChem CID110680415
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-8-15-14(16)10-11-7-9-17-13-6-4-3-5-12(11)13/h2-6,11H,1,7-10H2,(H,15,16)
InChIKeyDVYHSQGCPFAEHD-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
CID 111662437
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460132
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 96525406

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide (CID 110680415) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide?
The InChIKey is DVYHSQGCPFAEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-8-15-14(16)10-11-7-9-17-13-6-4-3-5-12(11)13/h2-6,11H,1,7-10H2,(H,15,16).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 110680415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).