(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide

C8H14N2O — CID 58168933

IUPAC(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide
SMILESCN[C@@H]1CC=CC[C@@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-3,6-7,10H,4-5H2,1H3,(H2,9,11)/t6-,7+/m0/s1
InChIKeyNMMNXZSMLPPQNP-NKWVEPMBSA-N
MW154.21 g/mol
LogP0.03
Rot. Bonds2

About (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide

(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide (PubChem CID 58168933) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide
PubChem CID58168933
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide
SMILESCN[C@@H]1CC=CC[C@@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-3,6-7,10H,4-5H2,1H3,(H2,9,11)/t6-,7+/m0/s1
InChIKeyNMMNXZSMLPPQNP-NKWVEPMBSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide (CID 58168933) is (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide is CN[C@@H]1CC=CC[C@@H]1C(N)=O.
What is the InChIKey of (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide?
The InChIKey is NMMNXZSMLPPQNP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-3,6-7,10H,4-5H2,1H3,(H2,9,11)/t6-,7+/m0/s1.
What are the key properties of (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide?
(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 58168933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).