3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile

C7H13N3O — CID 149448490

IUPAC3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
SMILESCCNC1(C#N)CCN(O)C1
InChIInChI=1S/C7H13N3O/c1-2-9-7(5-8)3-4-10(11)6-7/h9,11H,2-4,6H2,1H3
InChIKeyYXDPHVOIPYVELC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.05
Rot. Bonds2

About 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile

3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile (PubChem CID 149448490) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
PubChem CID149448490
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
SMILESCCNC1(C#N)CCN(O)C1
InChIInChI=1S/C7H13N3O/c1-2-9-7(5-8)3-4-10(11)6-7/h9,11H,2-4,6H2,1H3
InChIKeyYXDPHVOIPYVELC-UHFFFAOYSA-N
XLogP-0.05
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
CID 62976756
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137
4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
CID 114807742
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-3-carbonitrile
CID 62355102
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
CID 90106138

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile?
The IUPAC name of 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile (CID 149448490) is 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile is CCNC1(C#N)CCN(O)C1.
What is the InChIKey of 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile?
The InChIKey is YXDPHVOIPYVELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-9-7(5-8)3-4-10(11)6-7/h9,11H,2-4,6H2,1H3.
What are the key properties of 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile?
3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile is sourced from PubChem (CID 149448490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).