1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

C10H16N2O2 — CID 80592807

IUPAC1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCCCN(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-12(6-3-7-14-2)9(13)10(8-11)4-5-10/h3-7H2,1-2H3
InChIKeyXUPHLYDUMHNORK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds5

About 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 80592807) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
PubChem CID80592807
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCCCN(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-12(6-3-7-14-2)9(13)10(8-11)4-5-10/h3-7H2,1-2H3
InChIKeyXUPHLYDUMHNORK-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N,N-diethylcyclopropane-1-carboxamide
CID 80598322
1-cyano-N-ethyl-N-methylcyclopropane-1-carboxamide
CID 80598845
N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide
CID 177202785
2-cyano-N-(3-methoxypropyl)-N,2-dimethylpropanamide
CID 61832587
2-cyano-2-ethyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)butanamide
CID 61843191
2-cyano-N-(cyclopropylmethyl)-N-methylbutanamide
CID 61846087
2-cyano-N-(cyclopropylmethyl)-N-propylbutanamide
CID 61846885
2-cyano-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 61847094
2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)butanamide
CID 61875404
2-cyano-2-ethyl-N-(3-methoxypropyl)-N-methylbutanamide
CID 63007522
2-cyano-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010232
2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide
CID 63010234

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (CID 80592807) is 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is COCCCN(C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is XUPHLYDUMHNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(6-3-7-14-2)9(13)10(8-11)4-5-10/h3-7H2,1-2H3.
What are the key properties of 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80592807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).