N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide

C10H17NO2 — CID 58065338

IUPACN-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide
SMILESCOC(C(=O)NCC1CC1)=C(C)C
InChIInChI=1S/C10H17NO2/c1-7(2)9(13-3)10(12)11-6-8-4-5-8/h8H,4-6H2,1-3H3,(H,11,12)
InChIKeyHJWXOVYVZVNXGT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.45
Rot. Bonds4

About N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide

N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide (PubChem CID 58065338) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide
PubChem CID58065338
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide
SMILESCOC(C(=O)NCC1CC1)=C(C)C
InChIInChI=1S/C10H17NO2/c1-7(2)9(13-3)10(12)11-6-8-4-5-8/h8H,4-6H2,1-3H3,(H,11,12)
InChIKeyHJWXOVYVZVNXGT-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide (CID 58065338) is N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide is COC(C(=O)NCC1CC1)=C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide?
The InChIKey is HJWXOVYVZVNXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)9(13-3)10(12)11-6-8-4-5-8/h8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide?
N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide is sourced from PubChem (CID 58065338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).