cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide

C11H19NO — CID 118189816

IUPACcis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide
SMILESC=CCCC[C@@H]1C[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H19NO/c1-4-5-6-7-9-8-10(9)11(13)12(2)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyNVGHLUBPOKONAM-NXEZZACHSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds5

About cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide

cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide (PubChem CID 118189816) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide
PubChem CID118189816
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide
SMILESC=CCCC[C@@H]1C[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H19NO/c1-4-5-6-7-9-8-10(9)11(13)12(2)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyNVGHLUBPOKONAM-NXEZZACHSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide (CID 118189816) is cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide is C=CCCC[C@@H]1C[C@H]1C(=O)N(C)C.
What is the InChIKey of cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide?
The InChIKey is NVGHLUBPOKONAM-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-7-9-8-10(9)11(13)12(2)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide?
cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N,N-dimethyl-2-pent-4-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 118189816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).