N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine

C11H13N3O2 — CID 523921

IUPACN-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine
SMILESO=[N+]([O-])c1cccc(/N=C/N2CCCC2)c1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-5-3-4-10(8-11)12-9-13-6-1-2-7-13/h3-5,8-9H,1-2,6-7H2/b12-9+
InChIKeyNDDHFPHNNRWUOX-FMIVXFBMSA-N
MW219.24 g/mol
LogP2.35
Rot. Bonds3

About N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine

N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine (PubChem CID 523921) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine
PubChem CID523921
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine
SMILESO=[N+]([O-])c1cccc(/N=C/N2CCCC2)c1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-5-3-4-10(8-11)12-9-13-6-1-2-7-13/h3-5,8-9H,1-2,6-7H2/b12-9+
InChIKeyNDDHFPHNNRWUOX-FMIVXFBMSA-N
XLogP2.35
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3-nitrophenyl)diazene
CID 10858607
(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
CID 154687570
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
4-(3-nitrophenyl)imino-1-phenylbutane-1,3-dione
CID 71392557
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
1-(3-nitrophenyl)pyrrolidine
CID 698267
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
1-(3-nitrophenyl)azetidine
CID 58663764
2-(3-nitrophenyl)guanidine
CID 15667866
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
N-(3-nitrophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50854313
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine (CID 523921) is N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine is O=[N+]([O-])c1cccc(/N=C/N2CCCC2)c1.
What is the InChIKey of N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine?
The InChIKey is NDDHFPHNNRWUOX-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)11-5-3-4-10(8-11)12-9-13-6-1-2-7-13/h3-5,8-9H,1-2,6-7H2/b12-9+.
What are the key properties of N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine?
N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine has a molecular weight of 219.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).