1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

C12H18N2O2 — CID 80598016

IUPAC1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1(C#N)CC1
InChIInChI=1S/C12H18N2O2/c1-2-14(8-10-4-3-7-16-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3
InChIKeyFZCNOKSKDSSRRP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds4

About 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80598016) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80598016
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1(C#N)CC1
InChIInChI=1S/C12H18N2O2/c1-2-14(8-10-4-3-7-16-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3
InChIKeyFZCNOKSKDSSRRP-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141891
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (CID 80598016) is 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is CCN(CC1CCCO1)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is FZCNOKSKDSSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14(8-10-4-3-7-16-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3.
What are the key properties of 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).