N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H23NO3 — CID 115362407

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-12-17(7-3-4-8-17)11-18-16(20)14-9-13-5-1-2-6-15(13)21-10-14/h1-2,5-6,14,19H,3-4,7-12H2,(H,18,20)
InChIKeySVVPXSZKABQKSC-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.91
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 115362407) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID115362407
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-12-17(7-3-4-8-17)11-18-16(20)14-9-13-5-1-2-6-15(13)21-10-14/h1-2,5-6,14,19H,3-4,7-12H2,(H,18,20)
InChIKeySVVPXSZKABQKSC-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134015589
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
CID 65453008
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 115362407) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCC1(CO)CCCC1)C1COc2ccccc2C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SVVPXSZKABQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-12-17(7-3-4-8-17)11-18-16(20)14-9-13-5-1-2-6-15(13)21-10-14/h1-2,5-6,14,19H,3-4,7-12H2,(H,18,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 115362407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).