carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C11H17N3O2 — CID 174664088

IUPACcarbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cccnc1.NC(=O)O
InChIInChI=1S/C10H14N2.CH3NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1(3)4/h2,4,6,8,10H,3,5,7H2,1H3;2H2,(H,3,4)/t10-;/m0./s1
InChIKeyZKFYMHTZXISVJV-PPHPATTJSA-N
MW223.28 g/mol
LogP1.47
Rot. Bonds1

About carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 174664088) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Namecarbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID174664088
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namecarbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cccnc1.NC(=O)O
InChIInChI=1S/C10H14N2.CH3NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1(3)4/h2,4,6,8,10H,3,5,7H2,1H3;2H2,(H,3,4)/t10-;/m0./s1
InChIKeyZKFYMHTZXISVJV-PPHPATTJSA-N
XLogP1.47
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 159157477
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026

Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 174664088) is carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CN1CCC[C@H]1c1cccnc1.NC(=O)O.
What is the InChIKey of carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is ZKFYMHTZXISVJV-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14N2.CH3NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1(3)4/h2,4,6,8,10H,3,5,7H2,1H3;2H2,(H,3,4)/t10-;/m0./s1.
What are the key properties of carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 223.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 174664088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).