(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one

C10H16N2O2 — CID 11446902

IUPAC(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
SMILESC=CC(=O)N1C(=O)N(C)C[C@@H]1C(C)C
InChIInChI=1S/C10H16N2O2/c1-5-9(13)12-8(7(2)3)6-11(4)10(12)14/h5,7-8H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyNYWHHUNROBBHDW-MRVPVSSYSA-N
MW196.25 g/mol
LogP1.09
Rot. Bonds2

About (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one

(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one (PubChem CID 11446902) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
PubChem CID11446902
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
SMILESC=CC(=O)N1C(=O)N(C)C[C@@H]1C(C)C
InChIInChI=1S/C10H16N2O2/c1-5-9(13)12-8(7(2)3)6-11(4)10(12)14/h5,7-8H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyNYWHHUNROBBHDW-MRVPVSSYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one (CID 11446902) is (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one is C=CC(=O)N1C(=O)N(C)C[C@@H]1C(C)C.
What is the InChIKey of (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The InChIKey is NYWHHUNROBBHDW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-9(13)12-8(7(2)3)6-11(4)10(12)14/h5,7-8H,1,6H2,2-4H3/t8-/m1/s1.
What are the key properties of (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one is sourced from PubChem (CID 11446902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).