(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide

C13H21NO2 — CID 135067347

IUPAC(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide
SMILESC=C1CCC[C@@]1(C(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)12(16)13(11(4)15)9-7-8-10(13)3/h3,5-9H2,1-2,4H3/t13-/m1/s1
InChIKeyCOONXNZWCRRBDN-CYBMUJFWSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds4

About (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide

(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide (PubChem CID 135067347) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide
PubChem CID135067347
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide
SMILESC=C1CCC[C@@]1(C(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)12(16)13(11(4)15)9-7-8-10(13)3/h3,5-9H2,1-2,4H3/t13-/m1/s1
InChIKeyCOONXNZWCRRBDN-CYBMUJFWSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide?
The IUPAC name of (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide (CID 135067347) is (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide?
The canonical SMILES for (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide is C=C1CCC[C@@]1(C(C)=O)C(=O)N(CC)CC.
What is the InChIKey of (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide?
The InChIKey is COONXNZWCRRBDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(6-2)12(16)13(11(4)15)9-7-8-10(13)3/h3,5-9H2,1-2,4H3/t13-/m1/s1.
What are the key properties of (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide?
(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide is sourced from PubChem (CID 135067347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).