N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide

C7H11NO3 — CID 89219311

IUPACN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
SMILESC[C@H]1[C@H](C)OC(=O)[C@H]1NC=O
InChIInChI=1S/C7H11NO3/c1-4-5(2)11-7(10)6(4)8-3-9/h3-6H,1-2H3,(H,8,9)/t4-,5-,6-/m0/s1
InChIKeyXWFXXQRICUNDQZ-ZLUOBGJFSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds2

About N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide

N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide (PubChem CID 89219311) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
PubChem CID89219311
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
SMILESC[C@H]1[C@H](C)OC(=O)[C@H]1NC=O
InChIInChI=1S/C7H11NO3/c1-4-5(2)11-7(10)6(4)8-3-9/h3-6H,1-2H3,(H,8,9)/t4-,5-,6-/m0/s1
InChIKeyXWFXXQRICUNDQZ-ZLUOBGJFSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide?
The IUPAC name of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide (CID 89219311) is N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide.
What is the SMILES notation for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide?
The canonical SMILES for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide is C[C@H]1[C@H](C)OC(=O)[C@H]1NC=O.
What is the InChIKey of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide?
The InChIKey is XWFXXQRICUNDQZ-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-5(2)11-7(10)6(4)8-3-9/h3-6H,1-2H3,(H,8,9)/t4-,5-,6-/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide?
N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide has a molecular weight of 157.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide is sourced from PubChem (CID 89219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).