(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine

C8H15N3O2 — CID 70554865

IUPAC(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine
SMILESCN/C(=C/[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C8H15N3O2/c1-9-8(7-11(12)13)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3/b8-7-
InChIKeyXSCYZRDHNDNBED-FPLPWBNLSA-N
MW185.23 g/mol
LogP0.77
Rot. Bonds3

About (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine

(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine (PubChem CID 70554865) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine
PubChem CID70554865
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine
SMILESCN/C(=C/[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C8H15N3O2/c1-9-8(7-11(12)13)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3/b8-7-
InChIKeyXSCYZRDHNDNBED-FPLPWBNLSA-N
XLogP0.77
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine?
The IUPAC name of (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine (CID 70554865) is (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine.
What is the SMILES notation for (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine?
The canonical SMILES for (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine is CN/C(=C/[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine?
The InChIKey is XSCYZRDHNDNBED-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-8(7-11(12)13)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3/b8-7-.
What are the key properties of (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine?
(Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine has a molecular weight of 185.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-nitro-1-piperidin-1-ylethenamine is sourced from PubChem (CID 70554865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).