(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid

C9H14N2O2 — CID 163604347

IUPAC(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid
SMILESC=CC1=C(N(C)C(=O)O)NCCC1
InChIInChI=1S/C9H14N2O2/c1-3-7-5-4-6-10-8(7)11(2)9(12)13/h3,10H,1,4-6H2,2H3,(H,12,13)
InChIKeyHALRJKGEJLZCQS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds2

About (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid

(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid (PubChem CID 163604347) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid
PubChem CID163604347
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid
SMILESC=CC1=C(N(C)C(=O)O)NCCC1
InChIInChI=1S/C9H14N2O2/c1-3-7-5-4-6-10-8(7)11(2)9(12)13/h3,10H,1,4-6H2,2H3,(H,12,13)
InChIKeyHALRJKGEJLZCQS-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid?
The IUPAC name of (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid (CID 163604347) is (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid.
What is the SMILES notation for (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid?
The canonical SMILES for (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid is C=CC1=C(N(C)C(=O)O)NCCC1.
What is the InChIKey of (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid?
The InChIKey is HALRJKGEJLZCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-5-4-6-10-8(7)11(2)9(12)13/h3,10H,1,4-6H2,2H3,(H,12,13).
What are the key properties of (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid?
(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid has a molecular weight of 182.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid is sourced from PubChem (CID 163604347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).