(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine

C9H16N2O2 — CID 122686192

IUPAC(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine
SMILESC[C@H]1CCCN1CC1CC1[N+](=O)[O-]
InChIInChI=1S/C9H16N2O2/c1-7-3-2-4-10(7)6-8-5-9(8)11(12)13/h7-9H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyDNFMPWBZZQYDFU-UEJVZZJDSA-N
MW184.24 g/mol
LogP1.14
Rot. Bonds3

About (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine

(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine (PubChem CID 122686192) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine
PubChem CID122686192
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine
SMILESC[C@H]1CCCN1CC1CC1[N+](=O)[O-]
InChIInChI=1S/C9H16N2O2/c1-7-3-2-4-10(7)6-8-5-9(8)11(12)13/h7-9H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyDNFMPWBZZQYDFU-UEJVZZJDSA-N
XLogP1.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine (CID 122686192) is (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine is C[C@H]1CCCN1CC1CC1[N+](=O)[O-].
What is the InChIKey of (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine?
The InChIKey is DNFMPWBZZQYDFU-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-3-2-4-10(7)6-8-5-9(8)11(12)13/h7-9H,2-6H2,1H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine?
(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine has a molecular weight of 184.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine is sourced from PubChem (CID 122686192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).