N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide

C13H24N2O — CID 106609880

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-8-13(16)15(11(2)3)10-12-7-6-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyKSOQNOKZECXUIV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds6

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide (PubChem CID 106609880) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
PubChem CID106609880
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-8-13(16)15(11(2)3)10-12-7-6-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyKSOQNOKZECXUIV-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
2-cyclopent-2-en-1-yl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609792
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide (CID 106609880) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide is C=CCCC(=O)N(CC1CCCN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide?
The InChIKey is KSOQNOKZECXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-8-13(16)15(11(2)3)10-12-7-6-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide is sourced from PubChem (CID 106609880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).