(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

C19H24N2O3 — CID 95201148

IUPAC(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(=O)oc2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)ccc12
InChIInChI=1S/C19H24N2O3/c1-12(2)21(11-15-5-7-18(22)20-15)10-14-4-6-16-13(3)8-19(23)24-17(16)9-14/h4,6,8-9,12,15H,5,7,10-11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLUCFADQGUAKRNN-HNNXBMFYSA-N
MW328.41 g/mol
LogP2.59
Rot. Bonds5

About (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (PubChem CID 95201148) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
PubChem CID95201148
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(=O)oc2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)ccc12
InChIInChI=1S/C19H24N2O3/c1-12(2)21(11-15-5-7-18(22)20-15)10-14-4-6-16-13(3)8-19(23)24-17(16)9-14/h4,6,8-9,12,15H,5,7,10-11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLUCFADQGUAKRNN-HNNXBMFYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 56712639
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
CID 56722047
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
7-(4,4-dihydroxybutyl)-4-methylchromen-2-one
CID 156779613
4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
CID 56718124
7-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]-4-methylchromen-2-one
CID 133128716
8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10545292
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
7-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-4-methylchromen-2-one
CID 50979562
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (CID 95201148) is (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is Cc1cc(=O)oc2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)ccc12.
What is the InChIKey of (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The InChIKey is LUCFADQGUAKRNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)21(11-15-5-7-18(22)20-15)10-14-4-6-16-13(3)8-19(23)24-17(16)9-14/h4,6,8-9,12,15H,5,7,10-11H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95201148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).