1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one

C11H17N3O2 — CID 116981988

IUPAC1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CCCO)CC1c1cc[nH]c1
InChIInChI=1S/C11H17N3O2/c1-13-10(9-3-4-12-7-9)8-14(11(13)16)5-2-6-15/h3-4,7,10,12,15H,2,5-6,8H2,1H3
InChIKeyPAAXJJSDMBNLRP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one

1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one (PubChem CID 116981988) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
PubChem CID116981988
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CCCO)CC1c1cc[nH]c1
InChIInChI=1S/C11H17N3O2/c1-13-10(9-3-4-12-7-9)8-14(11(13)16)5-2-6-15/h3-4,7,10,12,15H,2,5-6,8H2,1H3
InChIKeyPAAXJJSDMBNLRP-UHFFFAOYSA-N
XLogP0.81
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one (CID 116981988) is 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one is CN1C(=O)N(CCCO)CC1c1cc[nH]c1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The InChIKey is PAAXJJSDMBNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-10(9-3-4-12-7-9)8-14(11(13)16)5-2-6-15/h3-4,7,10,12,15H,2,5-6,8H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116981988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).