2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide

C15H25N3O2 — CID 163501732

IUPAC2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
SMILESC=CC(=O)NCCNC(=O)C(=C)CCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-14(19)16-8-9-17-15(20)13(2)7-6-12-18-10-4-5-11-18/h3H,1-2,4-12H2,(H,16,19)(H,17,20)
InChIKeyCVILUUOIKKXCLA-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.84
Rot. Bonds9

About 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide

2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide (PubChem CID 163501732) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
PubChem CID163501732
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
SMILESC=CC(=O)NCCNC(=O)C(=C)CCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-3-14(19)16-8-9-17-15(20)13(2)7-6-12-18-10-4-5-11-18/h3H,1-2,4-12H2,(H,16,19)(H,17,20)
InChIKeyCVILUUOIKKXCLA-UHFFFAOYSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
(Z)-4-oxo-4-(4-pyrrolidin-1-ylbutylamino)but-2-enoic acid
CID 82036763
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 139534058
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 58861601
2,3-dimethyl-4-oxo-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid
CID 76991543

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide?
The IUPAC name of 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide (CID 163501732) is 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide?
The canonical SMILES for 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide is C=CC(=O)NCCNC(=O)C(=C)CCCN1CCCC1.
What is the InChIKey of 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide?
The InChIKey is CVILUUOIKKXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-14(19)16-8-9-17-15(20)13(2)7-6-12-18-10-4-5-11-18/h3H,1-2,4-12H2,(H,16,19)(H,17,20).
What are the key properties of 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide?
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide has a molecular weight of 279.38 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 163501732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).