N-[(2R)-butan-2-yl]prop-2-enamide

C7H13NO — CID 22884873

IUPACN-[(2R)-butan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h5-6H,2,4H2,1,3H3,(H,8,9)/t6-/m1/s1
InChIKeyNOEQXGATUUVXRW-ZCFIWIBFSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About N-[(2R)-butan-2-yl]prop-2-enamide

N-[(2R)-butan-2-yl]prop-2-enamide (PubChem CID 22884873) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]prop-2-enamide
PubChem CID22884873
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-[(2R)-butan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h5-6H,2,4H2,1,3H3,(H,8,9)/t6-/m1/s1
InChIKeyNOEQXGATUUVXRW-ZCFIWIBFSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(2R)-butan-2-yl]prop-2-enamide?
The IUPAC name of N-[(2R)-butan-2-yl]prop-2-enamide (CID 22884873) is N-[(2R)-butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[(2R)-butan-2-yl]prop-2-enamide is C=CC(=O)N[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]prop-2-enamide?
The InChIKey is NOEQXGATUUVXRW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h5-6H,2,4H2,1,3H3,(H,8,9)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]prop-2-enamide?
N-[(2R)-butan-2-yl]prop-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]prop-2-enamide is sourced from PubChem (CID 22884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).