(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide

C13H15N3O3 — CID 97083464

IUPAC(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H]2COc3ccccc3C2)N1
InChIInChI=1S/C13H15N3O3/c17-12(10-6-14-13(18)16-10)15-9-5-8-3-1-2-4-11(8)19-7-9/h1-4,9-10H,5-7H2,(H,15,17)(H2,14,16,18)/t9-,10-/m0/s1
InChIKeyDGFBPPMYRSQCOK-UWVGGRQHSA-N
MW261.28 g/mol
LogP-0.21
Rot. Bonds2

About (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97083464) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97083464
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H]2COc3ccccc3C2)N1
InChIInChI=1S/C13H15N3O3/c17-12(10-6-14-13(18)16-10)15-9-5-8-3-1-2-4-11(8)19-7-9/h1-4,9-10H,5-7H2,(H,15,17)(H2,14,16,18)/t9-,10-/m0/s1
InChIKeyDGFBPPMYRSQCOK-UWVGGRQHSA-N
XLogP-0.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride
CID 119734021
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119734072
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985986
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119734033
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 97083464) is (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H]2COc3ccccc3C2)N1.
What is the InChIKey of (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DGFBPPMYRSQCOK-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(10-6-14-13(18)16-10)15-9-5-8-3-1-2-4-11(8)19-7-9/h1-4,9-10H,5-7H2,(H,15,17)(H2,14,16,18)/t9-,10-/m0/s1.
What are the key properties of (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97083464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).