N-pyrrolidin-3-ylpent-4-ynamide

C9H14N2O — CID 103840756

IUPACN-pyrrolidin-3-ylpent-4-ynamide
SMILESC#CCCC(=O)NC1CCNC1
InChIInChI=1S/C9H14N2O/c1-2-3-4-9(12)11-8-5-6-10-7-8/h1,8,10H,3-7H2,(H,11,12)
InChIKeyDDHQLXMDCQUBBJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.12
Rot. Bonds3

About N-pyrrolidin-3-ylpent-4-ynamide

N-pyrrolidin-3-ylpent-4-ynamide (PubChem CID 103840756) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpent-4-ynamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpent-4-ynamide
PubChem CID103840756
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-pyrrolidin-3-ylpent-4-ynamide
SMILESC#CCCC(=O)NC1CCNC1
InChIInChI=1S/C9H14N2O/c1-2-3-4-9(12)11-8-5-6-10-7-8/h1,8,10H,3-7H2,(H,11,12)
InChIKeyDDHQLXMDCQUBBJ-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pyrrolidin-3-ylpropanamide
CID 18337238
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
CID 143542096
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119454357
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpent-4-ynamide?
The IUPAC name of N-pyrrolidin-3-ylpent-4-ynamide (CID 103840756) is N-pyrrolidin-3-ylpent-4-ynamide.
What is the SMILES notation for N-pyrrolidin-3-ylpent-4-ynamide?
The canonical SMILES for N-pyrrolidin-3-ylpent-4-ynamide is C#CCCC(=O)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylpent-4-ynamide?
The InChIKey is DDHQLXMDCQUBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-4-9(12)11-8-5-6-10-7-8/h1,8,10H,3-7H2,(H,11,12).
What are the key properties of N-pyrrolidin-3-ylpent-4-ynamide?
N-pyrrolidin-3-ylpent-4-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpent-4-ynamide is sourced from PubChem (CID 103840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).