sodium;4-(aminomethyl)pyrrolidin-2-one;hydride

C5H11N2NaO — CID 173198416

IUPACsodium;4-(aminomethyl)pyrrolidin-2-one;hydride
SMILESNCC1CNC(=O)C1.[H-].[Na+]
InChIInChI=1S/C5H10N2O.Na.H/c6-2-4-1-5(8)7-3-4;;/h4H,1-3,6H2,(H,7,8);;/q;+1;-1
InChIKeyAWONLRPKFMPDNS-UHFFFAOYSA-N
MW138.15 g/mol
LogP-3.80
Rot. Bonds1

About sodium;4-(aminomethyl)pyrrolidin-2-one;hydride

sodium;4-(aminomethyl)pyrrolidin-2-one;hydride (PubChem CID 173198416) has the molecular formula C5H11N2NaO and a molecular weight of 138.15 g/mol. Its IUPAC name is sodium;4-(aminomethyl)pyrrolidin-2-one;hydride.

Molecular Properties

Compound Namesodium;4-(aminomethyl)pyrrolidin-2-one;hydride
PubChem CID173198416
Molecular FormulaC5H11N2NaO
Molecular Weight138.15 g/mol
Exact Mass138.08
IUPAC Namesodium;4-(aminomethyl)pyrrolidin-2-one;hydride
SMILESNCC1CNC(=O)C1.[H-].[Na+]
InChIInChI=1S/C5H10N2O.Na.H/c6-2-4-1-5(8)7-3-4;;/h4H,1-3,6H2,(H,7,8);;/q;+1;-1
InChIKeyAWONLRPKFMPDNS-UHFFFAOYSA-N
XLogP-3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-3.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
CID 142081535
5-(aminomethyl)piperidin-2-one
CID 10749203
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 66729901
6-(2-aminoethyl)-1,4-diazepan-2-one
CID 105430690
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
4-nonylpyrrolidin-2-one
CID 143116205
(4R)-4-(azidomethyl)pyrrolidin-2-one
CID 141038490
4-hexylpyrrolidin-2-one
CID 18921442
ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
CID 59094008

Frequently Asked Questions

What is the IUPAC name of sodium;4-(aminomethyl)pyrrolidin-2-one;hydride?
The IUPAC name of sodium;4-(aminomethyl)pyrrolidin-2-one;hydride (CID 173198416) is sodium;4-(aminomethyl)pyrrolidin-2-one;hydride.
What is the SMILES notation for sodium;4-(aminomethyl)pyrrolidin-2-one;hydride?
The canonical SMILES for sodium;4-(aminomethyl)pyrrolidin-2-one;hydride is NCC1CNC(=O)C1.[H-].[Na+].
What is the InChIKey of sodium;4-(aminomethyl)pyrrolidin-2-one;hydride?
The InChIKey is AWONLRPKFMPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.Na.H/c6-2-4-1-5(8)7-3-4;;/h4H,1-3,6H2,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;4-(aminomethyl)pyrrolidin-2-one;hydride?
sodium;4-(aminomethyl)pyrrolidin-2-one;hydride has a molecular weight of 138.15 g/mol, XLogP of -3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(aminomethyl)pyrrolidin-2-one;hydride is sourced from PubChem (CID 173198416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).