(E)-N-(cyclopropylmethyl)but-2-enamide

C8H13NO — CID 22978312

IUPAC(E)-N-(cyclopropylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCC1CC1
InChIInChI=1S/C8H13NO/c1-2-3-8(10)9-6-7-4-5-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyRPOJIZYYJQJMJR-NSCUHMNNSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds3

About (E)-N-(cyclopropylmethyl)but-2-enamide

(E)-N-(cyclopropylmethyl)but-2-enamide (PubChem CID 22978312) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)but-2-enamide
PubChem CID22978312
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-N-(cyclopropylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCC1CC1
InChIInChI=1S/C8H13NO/c1-2-3-8(10)9-6-7-4-5-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyRPOJIZYYJQJMJR-NSCUHMNNSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
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 (E)-N-(cyclopropylmethyl)but-2-enamide?
The IUPAC name of (E)-N-(cyclopropylmethyl)but-2-enamide (CID 22978312) is (E)-N-(cyclopropylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-(cyclopropylmethyl)but-2-enamide is C/C=C/C(=O)NCC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)but-2-enamide?
The InChIKey is RPOJIZYYJQJMJR-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-8(10)9-6-7-4-5-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-N-(cyclopropylmethyl)but-2-enamide?
(E)-N-(cyclopropylmethyl)but-2-enamide has a molecular weight of 139.20 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 (E)-N-(cyclopropylmethyl)but-2-enamide is sourced from PubChem (CID 22978312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).