1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen

C12H21NO — CID 143925702

IUPAC1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
SMILESC=CC1=C(N(C)CC(C)=O)CCCC1.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14;/h4H,1,5-9H2,2-3H3;1H
InChIKeyBQANROZEHTUWBC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds4

About 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen

1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen (PubChem CID 143925702) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
PubChem CID143925702
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
SMILESC=CC1=C(N(C)CC(C)=O)CCCC1.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14;/h4H,1,5-9H2,2-3H3;1H
InChIKeyBQANROZEHTUWBC-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen?
The IUPAC name of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen (CID 143925702) is 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen.
What is the SMILES notation for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen?
The canonical SMILES for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen is C=CC1=C(N(C)CC(C)=O)CCCC1.[H][H].
What is the InChIKey of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen?
The InChIKey is BQANROZEHTUWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H2/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14;/h4H,1,5-9H2,2-3H3;1H.
What are the key properties of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen?
1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen has a molecular weight of 195.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen is sourced from PubChem (CID 143925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).