(2R)-2-(propan-2-ylideneamino)propanamide

C6H12N2O — CID 144775164

IUPAC(2R)-2-(propan-2-ylideneamino)propanamide
SMILESCC(C)=N[C@H](C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9)/t5-/m1/s1
InChIKeyNORPSQNILRAQHV-RXMQYKEDSA-N
MW128.17 g/mol
LogP0.34
Rot. Bonds2

About (2R)-2-(propan-2-ylideneamino)propanamide

(2R)-2-(propan-2-ylideneamino)propanamide (PubChem CID 144775164) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R)-2-(propan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name(2R)-2-(propan-2-ylideneamino)propanamide
PubChem CID144775164
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2R)-2-(propan-2-ylideneamino)propanamide
SMILESCC(C)=N[C@H](C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9)/t5-/m1/s1
InChIKeyNORPSQNILRAQHV-RXMQYKEDSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-ylideneamino)propanamide?
The IUPAC name of (2R)-2-(propan-2-ylideneamino)propanamide (CID 144775164) is (2R)-2-(propan-2-ylideneamino)propanamide.
What is the SMILES notation for (2R)-2-(propan-2-ylideneamino)propanamide?
The canonical SMILES for (2R)-2-(propan-2-ylideneamino)propanamide is CC(C)=N[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-(propan-2-ylideneamino)propanamide?
The InChIKey is NORPSQNILRAQHV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9)/t5-/m1/s1.
What are the key properties of (2R)-2-(propan-2-ylideneamino)propanamide?
(2R)-2-(propan-2-ylideneamino)propanamide has a molecular weight of 128.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-ylideneamino)propanamide is sourced from PubChem (CID 144775164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).