1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide

C9H17N3O — CID 77036067

IUPAC1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CC1CC1
InChIInChI=1S/C9H17N3O/c10-9(11-13)8-2-1-5-12(8)6-7-3-4-7/h7-8,13H,1-6H2,(H2,10,11)
InChIKeyIITDFNNAGPBSLP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.61
Rot. Bonds3

About 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 77036067) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID77036067
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CC1CC1
InChIInChI=1S/C9H17N3O/c10-9(11-13)8-2-1-5-12(8)6-7-3-4-7/h7-8,13H,1-6H2,(H2,10,11)
InChIKeyIITDFNNAGPBSLP-UHFFFAOYSA-N
XLogP0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
N'-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboximidamide
CID 115514096
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
1-[(2-chlorophenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036297

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 77036067) is 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is IITDFNNAGPBSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(11-13)8-2-1-5-12(8)6-7-3-4-7/h7-8,13H,1-6H2,(H2,10,11).
What are the key properties of 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).